IngredientID 10579

Amentoflavone

C30H18O10

Relationship Network

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

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Herb: 12Ingredient: 1Reference: 3Target: 12Links: 27

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10579
Core Entity Id: 14921
Source Entity Count: 1
Preferred Name: Amentoflavone
Name En
Pubchem Id: 5281600
Smiles Canonical: O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12
Molecular Formula: C30H18O10
Molecular Weight: 538.4640
Inchikey: YUSWMAULDXZHPY-UHFFFAOYSA-N
Inchi: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
Isomeric Smiles: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Cas Id: 1617-53-4
Ob Score: 2.9520
Mol Logp: 5.1340
Num H Donors: 6
Num H Acceptors: 10
Num Rotatable Bonds: 3
Drug Likeness: 0.1770
Polar Surface Area: 173.9800
Molecular Volume: 375.2400
Alogp: 4.5090

Names

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

Name

Amentoflavone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Amentoflavone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Amentoflavone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Amentoflavone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

amentoflavone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

侧柏叶

Role

TCM_name

Source

TCMBank

Preferred

Name

CE BAI YE

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1617-53-4

Role

alias

Source

HERB_v2

Preferred

Name

1617-53-4

Role

alias

Source

TCMBank

Preferred

Name

1617-53-4

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

3',8''-Biapigenin

Role

alias

Source

itcmdb_public

Preferred

Name

3',8''-Biapigenin

Role

alias

Source

TCMBank

Preferred

Name

3',8''-Biapigenin

Role

alias

Source

HERB_v2

Preferred

Name

3',8-Bi[4',5,7-trihydroxyflavone]

Role

alias

Source

TCMBank

Preferred

Name

4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone, 8CI

Role

alias

Source

TCMBank

Preferred

Name

4',5,7-Trihydroxyflavone(3'->8)-4',5,7-trihydroxyflavone

Role

alias

Source

TCMBank

Preferred

Name

40584_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione

Role

alias

Source

TCMBank

Preferred

Name

617A534

Role

alias

Source

TCMBank

Preferred

Name

79596-89-7

Role

alias

Source

TCMBank

Preferred

Name

8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

9I1VC79L77

Role

alias

Source

itcmdb_public

Preferred

Name

9I1VC79L77

Role

alias

Source

HERB_v2

Preferred

Name

9I1VC79L77

Role

alias

Source

TCMBank

Preferred

Name

A810291

Role

alias

Source

TCMBank

Preferred

Name

AC1NQYPA

Role

alias

Source

TCMBank

Preferred

Name

AIDS000485

Role

alias

Source

TCMBank

Preferred

Name

AKOS015896819

Role

alias

Source

TCMBank

Preferred

Name

AN-49542

Role

alias

Source

TCMBank

Preferred

Name

Ambotz1617-53-4

Role

alias

Source

TCMBank

Preferred

Name

Amenthoflavone

Role

alias

Source

HERB_v2

Preferred

Name

Amenthoflavone

Role

alias

Source

itcmdb_public

Preferred

Name

Amenthoflavone

Role

alias

Source

TCMBank

Preferred

Name

Amentoflavone, >=99.0% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

Amentoflavone, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

BDBM50129952

Role

alias

Source

TCMBank

Preferred

Name

BG01783910

Role

alias

Source

TCMBank

Preferred

Name

BIDD:PXR0028

Role

alias

Source

TCMBank

Preferred

Name

C-23136

Role

alias

Source

TCMBank

Preferred

Name

C10018

Role

alias

Source

TCMBank

Preferred

Name

CC-24050

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:2631

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:2631

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:2631

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL63354

Role

alias

Source

TCMBank

Preferred

Name

CS-4945

Role

alias

Source

TCMBank

Preferred

Name

CTK8F7701

Role

alias

Source

TCMBank

Preferred

Name

D06HRX

Role

alias

Source

TCMBank

Preferred

Name

DTXSID20167225

Role

alias

Source

TCMBank

Preferred

Name

Didemethyl-ginkgetin

Role

alias

Source

TCMBank

Preferred

Name

Didemethyl-ginkgetin

Role

alias

Source

HERB_v2

Preferred

Name

Didemethyl-ginkgetin

Role

alias

Source

itcmdb_public

Preferred

Name

FT-0622262

Role

alias

Source

TCMBank

Preferred

Name

HMS2228B12

Role

alias

Source

TCMBank

Preferred

Name

HMS3343J17

Role

alias

Source

TCMBank

Preferred

Name

HY-N0662

Role

alias

Source

TCMBank

Preferred

Name

I07-0160

Role

alias

Source

TCMBank

Preferred

Name

I3,II8-biapigenin

Role

alias

Source

HERB_v2

Preferred

Name

I3,II8-biapigenin

Role

alias

Source

itcmdb_public

Preferred

Name

KS-00000037

Role

alias

Source

TCMBank

Preferred

Name

LMPK12040009

Role

alias

Source

TCMBank

Preferred

Name

MEGxp0_000924

Role

alias

Source

TCMBank

Preferred

Name

MFCD00017470

Role

alias

Source

TCMBank

Preferred

Name

MFCD20275041

Role

alias

Source

TCMBank

Preferred

Name

MLS000574827

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-741-078

Role

alias

Source

TCMBank

Preferred

Name

N2268

Role

alias

Source

TCMBank

Preferred

Name

NCGC00247542-01

Role

alias

Source

TCMBank

Preferred

Name

NSC295677

Role

alias

Source

TCMBank

Preferred

Name

Q-100192

Role

alias

Source

TCMBank

Preferred

Name

SC-13592

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL312563

Role

alias

Source

TCMBank

Preferred

Name

SMR000156235

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721725

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721725-2

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721725-3

Role

alias

Source

TCMBank

Preferred

Name

Tridemethylsciadopitysin

Role

alias

Source

HERB_v2

Preferred

Name

Tridemethylsciadopitysin

Role

alias

Source

TCMBank

Preferred

Name

Tridemethylsciadopitysin

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-9I1VC79L77

Role

alias

Source

HERB_v2

Preferred

Name

UNII-9I1VC79L77

Role

alias

Source

TCMBank

Preferred

Name

UNII-9I1VC79L77

Role

alias

Source

itcmdb_public

Preferred

Name

W1536

Role

alias

Source

TCMBank

Preferred

Name

YUSWMAULDXZHPY-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

ZINC3984030

Role

alias

Source

TCMBank

Preferred

Name

amentoflavone

Role

alias

Source

TCMBank

Preferred

Name

cid_5281600

Role

alias

Source

TCMBank

Preferred

Name

7.止血药(25-26)

Role

level1_name

Source

TCMBank

Preferred

Name

hemostatic medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

1.凉血止血药(8-9)

Role

level2_name

Source

TCMBank

Preferred

Name

blood-cooling hemostatic medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

兖州卷柏

Role

TCM_name

Source

TCMBank

Preferred

Name

YAN ZHOU JUAN BAI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Involute Spikemoss

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

侧柏叶CE BAI YE1617-53-42-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one3',8''-Biapigenin3',8-Bi[4',5,7-trihydroxyflavone]4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone, 8CI4',5,7-Trihydroxyflavone(3'->8)-4',5,7-trihydroxyflavone40584_FLUKA4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione617A53479596-89-78-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one9I1VC79L77A810291AC1NQYPAAIDS000485AKOS015896819AN-49542Ambotz1617-53-4AmenthoflavoneAmentoflavone, >=99.0% (HPLC)Amentoflavone, analytical standardBDBM50129952BG01783910BIDD:PXR0028C-23136C10018CC-24050CHEBI:2631CHEMBL63354CS-4945CTK8F7701D06HRXDTXSID20167225Didemethyl-ginkgetinFT-0622262HMS2228B12HMS3343J17HY-N0662I07-0160I3,II8-biapigeninKS-00000037LMPK12040009MEGxp0_000924MFCD00017470MFCD20275041MLS000574827MolPort-001-741-078N2268NCGC00247542-01NSC295677Q-100192SC-13592SCHEMBL312563SMR000156235SR-01000721725SR-01000721725-2SR-01000721725-3TridemethylsciadopitysinUNII-9I1VC79L77W1536YUSWMAULDXZHPY-UHFFFAOYSA-NZINC3984030cid_52816007.止血药(25-26)hemostatic medicinal1.凉血止血药(8-9)blood-cooling hemostatic medicinal兖州卷柏YAN ZHOU JUAN BAIInvolute Spikemoss

Cross References

Trusted external identifiers retained for this final record.

Cas

1617-53-4

Hit

C0891

Herb

HBIN015834

Npass

NPC138299

Tcmid

1030

Tcmsp

MOL002037

Sym Map

SMIT04353SMIT14260

Tcm Id

10050100511005210053100541005510056100571005810059100601006110062100631006411279112801128111282112831128411285137691511916013163131631416315176091952419525195261952721533

Pub Chem

5281600

Tcmbank

TCMBANKIN039557TCMBANKIN054434

Etcm Ingredient

Amentoflavone

Itcmdb Generated

ITX-INGREDIENT-AF6751656286ITX-INGREDIENT-FD847A8D15CE

Attributes

Merged source attributes and domain-specific metadata.

3.67756

1.4308

1.4914

Bic

0.62008

Cic

1.64436

Phi

6.11435

Sic

0.69102

Log D

2.729

Sc 0

Sc 1

Sc 2

Alog P

4.509

Chi 0

28.2918

Chi 1

19.1003

Chi 2

18.5519

In Ch I

InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H

Mol Wt

538.4640000000004

Pmi X

505.101

Cas Id

1617-53-4

Energy

80.76

Sc 3 C

Sc 3 P

Smiles

c12c(OC(c3c([H])c([H])c(O[H])c(c(c(O[H])c([H])c4O[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5[H])=C([H])C6=O)c46)c3[H])=C([H])C1=O)c([H])c(O[H])c([H])c2O[H]

Zagreb

226

37 Flag

Chi 3 C

3.43039

Chi 3 P

15.7576

Chi V 0

20.2445

Chi V 1

11.7625

Chi V 2

9.06058

C Count

Kappa 1

30.0444

Kappa 2

12.1791

Kappa 3

5.92

Mol Log P

5.134000000000006

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

143.335

Chi 3 Ch

Dipole X

-5.81129

Dipole Y

0.51458

Dipole Z

0.00042

Iac Mean

1.45307

In Ch Ikey

YUSWMAULDXZHPY-UHFFFAOYSA-N

Is Chiral

Ob Score

2.9522.952153942.952154

Suppress

Tcm Name

侧柏叶

Chi V 3 C

1.17926

Chi V 3 P

6.4573

Es Sum D O

25.781

Es Sum T N

E Adj Equ

719.354

E Adj Mag

963.895

Hba Count

Hbd Count

Iac Total

84.2783

Jurs Rasa

0.56459

Jurs Rncg

0.09909

Jurs Rncs

5.11763

Jurs Rpcg

0.12529

Jurs Rpcs

0.93814

Jurs Rpsa

0.4354

Jurs Sasa

716.11

Jurs Tasa

404.315

Jurs Tpsa

311.795

Num Atoms

Num Bonds

Num Rings

Shadow Xy

146.691

Shadow Xz

55.9095

Shadow Yz

36.6484

Shadow Nu

5.6966

Tcm Name2

YAN ZHOU JUAN BAI

V Adj Equ

499.801

V Adj Mag

584.267

Mol2 Path

/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/侧柏叶/Structures/amentoflavone.mol2

Reference

2, 6, 658, 4234, 4398, 4571, 4707, 5010, 5508

Chi V 3 Ch

Dipole Mag

5.83402

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

61.65

Es Sum Ss O

11.743

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

25.647

Kappa 2 Am

9.53617

Kappa 3 Am

4.41676

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

13.019

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

-2.328

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

2.27

Es Sum Dss C

-1.137

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-404.541

Jurs Dpsa 3

124.107

Jurs Fnsa 1

0.78245

Jurs Fnsa 2

-2.84993

Jurs Fnsa 3

-0.15772

Jurs Fpsa 1

0.21754

Jurs Fpsa 2

0.33558

Jurs Fpsa 3

0.01558

Jurs Pnsa 1

560.326

Jurs Pnsa 2

-2040.86

Jurs Pnsa 3

-112.944

Jurs Ppsa 1

155.784

Jurs Ppsa 3

11.1626

Jurs Wnsa 1

401.255

Jurs Wnsa 2

-1461.48

Jurs Wnsa 3

-80.8807

Jurs Wpsa 1

111.559

Jurs Wpsa 3

7.99368

Num Pi Bonds

Tcm Name En

CE BAI YE

Level1 Name

7.止血药(25-26)

Level2 Name

1.凉血止血药(8-9)

Admet Psa 2 D

177.354

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

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

4.509

Admet Ext Ppb

-2.88452

Drug Likeness

0.177

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

5.17901

Shadow Xyfrac

0.57606

Shadow Xzfrac

0.84879

Shadow Yzfrac

0.81986

Strain Energy

72.91

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

538.09

Molecular Sasa

717.79

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

19.3709

Shadow Ylength

13.1456

Shadow Zlength

3.40042

Level1 Name En

hemostatic medicinal

Level2 Name En

blood-cooling hemostatic medicinal

Admet Bbb Level

Isomeric Smiles

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

Molecular Savol

647.303

Molecule Weight

538.48

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

1.83522

Admet Solubility

-6.447

Canonical Smiles

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

Herb Alias Names

1617-53-4Didemethyl-ginkgetinAmenthoflavone3',8''-BiapigeninI3,II8-biapigeninTridemethylsciadopitysinUNII-9I1VC79L77CHEBI:26319I1VC79L77

Minimized Energy

7.85

Molecular Weight

538.090

Molecular Volume

375.24

Molecular Weight

538.458

Molecule Formula

C30H18O10

Num Macro Chains

Molecular Formula

C30H18O10

Molecular Formula

C30H18O10

Molecular Formula

C30H18O10

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Link Ingredient Id

4353.0

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

295.4

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-4.566

Admet Ext Hepatotoxic

3.58154

Admet Unknown Alog P98

Molecular Surface Area

474.19

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

173.98

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.411

Admet Ext Ppb Applicability#Md

13.7514

Fda Maximum Daily Dose (Fdamdd)

0.836

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

8.46935

Admet Ext Ppb Applicability#Mdpvalue

0.000312

Molecular Fractional Polar Surface Area

0.366

Admet Ext Hepatotoxic Applicability#Md

10.2245

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.599176

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.054022

Quantitative Estimate Of Drug Likeness（Qed）

0.177