IngredientID 21627

Honokiol

C18H18O2

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Experiment: 1Herb: 12Ingredient: 1Reference: 11Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 21627
Core Entity Id: 27225
Source Entity Count: 1
Preferred Name: Honokiol
Name En
Pubchem Id: 72303
Smiles Canonical: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Molecular Formula: C18H18O2
Molecular Weight: 266.3400
Inchikey: FVYXIJYOAGAUQK-UHFFFAOYSA-N
Inchi: InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
Isomeric Smiles: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Cas Id: 35354-74-6
Ob Score: 60.6690
Mol Logp: 4.2218
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 5
Drug Likeness: 0.7950
Polar Surface Area: 40.4600
Molecular Volume: 219.5100
Alogp: 4.8800

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Honokiol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Honokiol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Honokiol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Honokiol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

厚朴

Role

TCM_name

Source

TCMBank

Preferred

Name

HOU PO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Officinal Magnolia

Role

TCM_name_en

Source

TCMBank

Preferred

Name

11513CCO0N

Role

alias

Source

TCMBank

Preferred

Name

2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol

Role

alias

Source

TCMBank

Preferred

Name

2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

Role

alias

Source

itcmdb_public

Preferred

Name

2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

Role

alias

Source

HERB_v2

Preferred

Name

3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol

Role

alias

Source

TCMBank

Preferred

Name

3'',5-diallylbiphenyl-2,4''-diol

Role

alias

Source

TCMBank

Preferred

Name

3',1'-biphenyl)-2,4'-diol

Role

alias

Source

TCMBank

Preferred

Name

3',5-Diallyl-2,4'-dihydroxybiphenyl

Role

alias

Source

TCMBank

Preferred

Name

3',5-Diallylbiphenyl-2,4'-diol

Role

alias

Source

HERB_v2

Preferred

Name

3',5-Diallylbiphenyl-2,4'-diol

Role

alias

Source

itcmdb_public

Preferred

Name

3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol

Role

alias

Source

TCMBank

Preferred

Name

3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol

Role

alias

Source

TCMBank

Preferred

Name

3',5-diallyl-2,4'-biphenyldiol

Role

alias

Source

TCMBank

Preferred

Name

3',5-diallyl-[1,1'-biphenyl]-2,4'-diol

Role

alias

Source

TCMBank

Preferred

Name

3,5'-Diallyl-4,2'-dihydroxybiphenyl

Role

alias

Source

itcmdb_public

Preferred

Name

3,5'-Diallyl-4,2'-dihydroxybiphenyl

Role

alias

Source

HERB_v2

Preferred

Name

3,5'-Diallyl-4,2'-dihydroxybiphenyl

Role

alias

Source

TCMBank

Preferred

Name

35354-74-6

Role

alias

Source

HERB_v2

Preferred

Name

35354-74-6

Role

alias

Source

TCMBank

Preferred

Name

35354-74-6

Role

alias

Source

itcmdb_public

Preferred

Name

354H746

Role

alias

Source

TCMBank

Preferred

Name

4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol

Role

alias

Source

TCMBank

Preferred

Name

4CN-0876

Role

alias

Source

TCMBank

Preferred

Name

5,3''''-Diallyl-biphenyl-2,4''''-diol

Role

alias

Source

TCMBank

Preferred

Name

5,3'-Diallyl-2,4'-dihydroxybiphenyl

Role

alias

Source

HERB_v2

Preferred

Name

5,3'-Diallyl-2,4'-dihydroxybiphenyl

Role

alias

Source

itcmdb_public

Preferred

Name

5,3′ C10630

Role

alias

Source

TCMBank

Preferred

Name

5,3′-Diallyl-2,4′-dihydroxybiphenyl

Role

alias

Source

TCMBank

Preferred

Name

5,3′-Diallyl-2,4′-dihydroxydiphenyl

Role

alias

Source

TCMBank

Preferred

Name

564-73-8

Role

alias

Source

TCMBank

Preferred

Name

AB0016711

Role

alias

Source

TCMBank

Preferred

Name

AC-486

Role

alias

Source

TCMBank

Preferred

Name

AC1L2HTG

Role

alias

Source

TCMBank

Preferred

Name

AC1Q7A9U

Role

alias

Source

TCMBank

Preferred

Name

ACN-035410

Role

alias

Source

TCMBank

Preferred

Name

AIDS002243

Role

alias

Source

TCMBank

Preferred

Name

AJ-08043

Role

alias

Source

TCMBank

Preferred

Name

AK-25837

Role

alias

Source

TCMBank

Preferred

Name

AKOS005622639

Role

alias

Source

TCMBank

Preferred

Name

AN-15767

Role

alias

Source

TCMBank

Preferred

Name

ANW-56605

Role

alias

Source

TCMBank

Preferred

Name

API0002927

Role

alias

Source

TCMBank

Preferred

Name

AS-15333

Role

alias

Source

TCMBank

Preferred

Name

AT-5464

Role

alias

Source

TCMBank

Preferred

Name

AX8008971

Role

alias

Source

TCMBank

Preferred

Name

BBL027819

Role

alias

Source

TCMBank

Preferred

Name

BB_NC-1461

Role

alias

Source

TCMBank

Preferred

Name

BC205226

Role

alias

Source

TCMBank

Preferred

Name

BDBM50157304

Role

alias

Source

TCMBank

Preferred

Name

BG00615873

Role

alias

Source

TCMBank

Preferred

Name

BG01559998

Role

alias

Source

TCMBank

Preferred

Name

BN0719

Role

alias

Source

TCMBank

Preferred

Name

BRD-K98493452-001-01-6

Role

alias

Source

TCMBank

Preferred

Name

Bio-0326

Role

alias

Source

TCMBank

Preferred

Name

C18H18O2

Role

alias

Source

HERB_v2

Preferred

Name

C18H18O2

Role

alias

Source

itcmdb_public

Preferred

Name

CCG-100864

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:5759

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL16901

Role

alias

Source

TCMBank

Preferred

Name

CPD000387107

Role

alias

Source

HERB_v2

Preferred

Name

CPD000387107

Role

alias

Source

itcmdb_public

Preferred

Name

CPD000387107

Role

alias

Source

TCMBank

Preferred

Name

CS-1696

Role

alias

Source

TCMBank

Preferred

Name

CTK5J3931

Role

alias

Source

TCMBank

Preferred

Name

D04DQJ

Role

alias

Source

TCMBank

Preferred

Name

DTXSID30188845

Role

alias

Source

TCMBank

Preferred

Name

FT-0601638

Role

alias

Source

TCMBank

Preferred

Name

FVYXIJYOAGAUQK-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

H4914_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

HMS2051C12

Role

alias

Source

TCMBank

Preferred

Name

HMS2271J07

Role

alias

Source

TCMBank

Preferred

Name

HMS3393C12

Role

alias

Source

TCMBank

Preferred

Name

HMS3656G03

Role

alias

Source

TCMBank

Preferred

Name

HY-N0003

Role

alias

Source

TCMBank

Preferred

Name

Honokiol

Role

alias

Source

TCMBank

Preferred

Name

Honokiol, >=98% (HPLC), powder

Role

alias

Source

TCMBank

Preferred

Name

Honokiol, European Pharmacopoeia (EP) Reference Standard

Role

alias

Source

TCMBank

Preferred

Name

Honokiol, HO

Role

alias

Source

TCMBank

Preferred

Name

Honokiol, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

Honokiol,(S)

Role

alias

Source

TCMBank

Preferred

Name

I06-0428

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H

Role

alias

Source

TCMBank

Preferred

Name

J10347

Role

alias

Source

TCMBank

Preferred

Name

KS-00000NQF

Role

alias

Source

TCMBank

Preferred

Name

LS-174528

Role

alias

Source

TCMBank

Preferred

Name

MCULE-5001549020

Role

alias

Source

TCMBank

Preferred

Name

MFCD00016674

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00016674

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00016674

Role

alias

Source

TCMBank

Preferred

Name

MLS000759481

Role

alias

Source

TCMBank

Preferred

Name

MLS001048916

Role

alias

Source

TCMBank

Preferred

Name

MLS001423980

Role

alias

Source

TCMBank

Preferred

Name

MLS006011755

Role

alias

Source

TCMBank

Preferred

Name

MolPort-002-507-432

Role

alias

Source

TCMBank

Preferred

Name

N1672

Role

alias

Source

TCMBank

Preferred

Name

NC00114

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163567-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163567-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163567-03

Role

alias

Source

TCMBank

Preferred

Name

NSC 293100

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 293100

Role

alias

Source

HERB_v2

Preferred

Name

NSC-293100

Role

alias

Source

TCMBank

Preferred

Name

O900

Role

alias

Source

TCMBank

Preferred

Name

Q-100425

Role

alias

Source

TCMBank

Preferred

Name

REGID_for_CID_72303

Role

alias

Source

TCMBank

Preferred

Name

RTR-014635

Role

alias

Source

TCMBank

Preferred

Name

SAM001246690

Role

alias

Source

TCMBank

Preferred

Name

SC-17371

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL133034

Role

alias

Source

TCMBank

Preferred

Name

SMP2_000040

Role

alias

Source

TCMBank

Preferred

Name

SMR000387107

Role

alias

Source

TCMBank

Preferred

Name

SR-01000758208

Role

alias

Source

TCMBank

Preferred

Name

SR-01000758208-5

Role

alias

Source

TCMBank

Preferred

Name

ST24044036

Role

alias

Source

TCMBank

Preferred

Name

STK801954

Role

alias

Source

TCMBank

Preferred

Name

TR-014635

Role

alias

Source

TCMBank

Preferred

Name

UNII-11513CCO0N

Role

alias

Source

TCMBank

Preferred

Name

VZ32385

Role

alias

Source

TCMBank

Preferred

Name

W-2613

Role

alias

Source

TCMBank

Preferred

Name

ZINC00001536

Role

alias

Source

TCMBank

Preferred

Name

ZINC1536

Role

alias

Source

TCMBank

Preferred

Name

[1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-

Role

alias

Source

TCMBank

Preferred

Name

cid_72303

Role

alias

Source

TCMBank

Preferred

Name

houpa

Role

alias

Source

TCMBank

Preferred

Name

s2310

Role

alias

Source

TCMBank

Preferred

Name

{1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-

Role

alias

Source

TCMBank

Preferred

Name

凹叶厚朴; 厚朴; 日本厚朴

Role

TCM_name

Source

TCMBank

Preferred

Name

AO YE HOU PO; HOU PO; RI BEN HOU PO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Twolobed Officinal Mangolia; Officinal Mangolia; Whiteleaf japanese

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

厚朴HOU POOfficinal Magnolia11513CCO0N2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol3'',5-diallylbiphenyl-2,4''-diol3',1'-biphenyl)-2,4'-diol3',5-Diallyl-2,4'-dihydroxybiphenyl3',5-Diallylbiphenyl-2,4'-diol3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol3',5-diallyl-2,4'-biphenyldiol3',5-diallyl-[1,1'-biphenyl]-2,4'-diol3,5'-Diallyl-4,2'-dihydroxybiphenyl35354-74-6354H7464-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol4CN-08765,3''''-Diallyl-biphenyl-2,4''''-diol5,3'-Diallyl-2,4'-dihydroxybiphenyl5,3′ C106305,3′-Diallyl-2,4′-dihydroxybiphenyl5,3′-Diallyl-2,4′-dihydroxydiphenyl564-73-8AB0016711AC-486AC1L2HTGAC1Q7A9UACN-035410AIDS002243AJ-08043AK-25837AKOS005622639AN-15767ANW-56605API0002927AS-15333AT-5464AX8008971BBL027819BB_NC-1461BC205226BDBM50157304BG00615873BG01559998BN0719BRD-K98493452-001-01-6Bio-0326C18H18O2CCG-100864CHEBI:5759CHEMBL16901CPD000387107CS-1696CTK5J3931D04DQJDTXSID30188845FT-0601638FVYXIJYOAGAUQK-UHFFFAOYSA-NH4914_SIGMAHMS2051C12HMS2271J07HMS3393C12HMS3656G03HY-N0003Honokiol, >=98% (HPLC), powderHonokiol, European Pharmacopoeia (EP) Reference StandardHonokiol, HOHonokiol, analytical standardHonokiol,(S)I06-0428InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6HJ10347KS-00000NQFLS-174528MCULE-5001549020MFCD00016674MLS000759481MLS001048916MLS001423980MLS006011755MolPort-002-507-432N1672NC00114NCGC00163567-01NCGC00163567-02NCGC00163567-03NSC 293100NSC-293100O900Q-100425REGID_for_CID_72303RTR-014635SAM001246690SC-17371SCHEMBL133034SMP2_000040SMR000387107SR-01000758208SR-01000758208-5ST24044036STK801954TR-014635UNII-11513CCO0NVZ32385W-2613ZINC00001536ZINC1536[1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-cid_72303houpas2310{1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-凹叶厚朴; 厚朴; 日本厚朴AO YE HOU PO; HOU PO; RI BEN HOU POTwolobed Officinal Mangolia; Officinal Mangolia; Whiteleaf japanese

Cross References

Trusted external identifiers retained for this final record.

Cas

35354-74-6

Hit

C0126

Herb

HBIN029531

Npass

NPC168829

Tcmid

9630

Tcmsp

MOL005955

Sym Map

SMIT00240

Tcm Id

130791308018288182891967922886228873685

Pub Chem

72303

Tcmbank

TCMBANKIN036825TCMBANKIN056100

Itcmdb Generated

ITX-INGREDIENT-759CABDF792B

Attributes

Merged source attributes and domain-specific metadata.

3.32192

2.46715

2.50158

Bic

0.6838

Cic

Phi

4.50977

Sic

0.76862

Log D

4.876

Sc 0

Sc 1

Sc 2

Type

Other ingredients,QC ingredients

Alog P

4.88

Chi 0

14.5352

Chi 1

9.65139

Chi 2

8.20806

In Ch I

InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

Mol Wt

266.34

Pmi X

105.575

Cas Id

35354-74-6

Energy

26.96

Sc 3 C

Sc 3 P

Smiles

c1(c([H])c(c2c([H])c(C([H])([H])C([H])=C([H])[H])c([H])c([H])c2O[H])c([H])c([H])c1O[H])C([H])([H])C([H])=C([H])[H]

Zagreb

37 Flag

Chi 3 C

1.14494

Chi 3 P

6.73157

Chi V 0

11.3417

Chi V 1

6.51338

Chi V 2

4.68059

C Count

Kappa 1

16.3719

Kappa 2

7.85204

Kappa 3

4.25

Mol Log P

4.221800000000002

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

83.157

Chi 3 Ch

Dipole X

-0.03678

Dipole Y

0.4511

Dipole Z

-2e-05

Iac Mean

1.24484

In Ch Ikey

FVYXIJYOAGAUQK-UHFFFAOYSA-N

Is Chiral

Ob Score

60.66960.6694419260.669442

Suppress

Tcm Name

厚朴

Admet Bbb

0.696

Chi V 3 C

0.50451

Chi V 3 P

3.19575

Es Sum D O

Es Sum T N

E Adj Equ

242.157

E Adj Mag

325.212

Hba Count

Hbd Count

Iac Total

47.3039

Jurs Rasa

0.83517

Jurs Rncg

0.2475

Jurs Rncs

11.4033

Jurs Rpcg

0.47683

Jurs Rpcs

3.33984

Jurs Rpsa

0.16482

Jurs Sasa

469.357

Jurs Tasa

391.997

Jurs Tpsa

77.3595

Num Atoms

Num Bonds

Num Rings

Shadow Xy

82.0182

Shadow Xz

42.8626

Shadow Yz

23.979

Shadow Nu

4.4331

Tcm Name2

HOU PO

V Adj Equ

193.859

V Adj Mag

226.477

Mol2 Path

/TCM_database/2007_3d_all/09631.mol2

Reference

2, 625, 658, 660, 1521, 5344, 5362, 5501, 5508

Chi V 3 Ch

Dipole Mag

0.4526

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

19.835

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

14.2533

Kappa 2 Am

6.32801

Kappa 3 Am

3.25149

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

10.84

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

3.998

Es Sum Aas N

Es Sum D Ch2

7.408

Es Sum Dds N

Es Sum Ds Ch

3.572

Es Sum Dss C

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-430.229

Jurs Dpsa 3

52.451

Jurs Fnsa 1

0.95831

Jurs Fnsa 2

-1.39617

Jurs Fnsa 3

-0.10932

Jurs Fpsa 1

0.04168

Jurs Fpsa 2

0.00691

Jurs Fpsa 3

0.00244

Jurs Pnsa 1

449.793

Jurs Pnsa 2

-655.298

Jurs Pnsa 3

-51.3058

Jurs Ppsa 1

19.5636

Jurs Ppsa 3

1.14523

Jurs Wnsa 1

211.113

Jurs Wnsa 2

-307.568

Jurs Wnsa 3

-24.0807

Jurs Wpsa 1

9.18231

Jurs Wpsa 3

0.53752

Num Pi Bonds

Tcm Name En

Officinal Magnolia

Admet Psa 2 D

41.631

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

1.344

Es Sum Ss Nh2

Es Sum Sss Ch

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

4.88

Admet Ext Ppb

0.76006

Drug Likeness

0.795

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

2.93818

Shadow Xyfrac

0.61725

Shadow Xzfrac

0.83625

Shadow Yzfrac

0.8

Strain Energy

29.49

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

266.131

Molecular Sasa

488.794

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

15.0738

Shadow Ylength

8.81505

Shadow Zlength

3.40028

Admet Bbb Level

Isomeric Smiles

C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

Molecular Savol

432.105

Molecule Weight

266.36

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

1.78769

Admet Solubility

-4.285

Canonical Smiles

C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

Herb Alias Names

35354-74-65,3'-Diallyl-2,4'-dihydroxybiphenylNSC 2931003,5'-Diallyl-4,2'-dihydroxybiphenyl3',5-Diallylbiphenyl-2,4'-diolC18H18O22-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenolMFCD00016674CPD000387107

Minimized Energy

-2.53

Molecular Volume

219.51

Molecular Weight

266.334

Molecule Formula

C18H18O2

Num Macro Chains

Molecular Formula

C18H18O2

Molecular Formula

C18H18O2

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

87.6544

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-5.203

Admet Ext Hepatotoxic

0.084807

Admet Unknown Alog P98

Molecular Surface Area

287.57

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

40.46

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.179

Admet Ext Ppb Applicability#Md

8.5701

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

10.3264

Admet Ext Ppb Applicability#Mdpvalue

0.999599

Molecular Fractional Polar Surface Area

0.14

Admet Ext Hepatotoxic Applicability#Md

8.40436

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.071066

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.746794