IngredientID 10635

Ampeloptin

C15H12O8

Relationship Network

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Herb: 12Ingredient: 1Reference: 12Target: 13Links: 37

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10635
Core Entity Id: 14983
Source Entity Count: 1
Preferred Name: Ampeloptin
Name En
Pubchem Id: 161557
Smiles Canonical: C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Molecular Formula: C15H12O8
Molecular Weight: 320.2530
Inchikey: KJXSIXMJHKAJOD-LSDHHAIUSA-N
Inchi: InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
Isomeric Smiles: C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
Cas Id: 27200-12-0
Ob Score: 23.4769
Mol Logp: 0.8919
Num H Donors: 6
Num H Acceptors: 8
Num Rotatable Bonds: 1
Drug Likeness: 0.4240
Polar Surface Area: 147.6800
Molecular Volume: 229.8000
Alogp: 1.2370

Names

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

Name

Ampelopsin

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ampelopsin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ampelopsin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ampelopsin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ampelopsin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ampeloptin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ampeloptin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ampeloptin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ampeloptin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ampeloptin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

ampelopsin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

显齿蛇葡萄;大叶蛇葡萄;白蔹;枳椇子;硃砂杜鹃;日本连香树;朱砂杜鹃

Role

TCM_name

Source

TCMBank

Preferred

Name

白蔹;显齿蛇葡萄;枳椇子

Role

TCM_name

Source

TCMBank

Preferred

Name

BAI LIAN;XIAN CHI SHE PU TAO;ZHI JU ZI

Role

TCM_name2

Source

TCMBank

Preferred

Name

XIAN CHI SHE PU TAO;DA YE SHE PU TAO;Codrus sp.;BAI LIAN;ZHI JU ZI;PINUS SP.;ZHU SHA DU JUAN;RI BEN LIAN XIANG SHU;Cedrus sp.

Role

TCM_name2

Source

TCMBank

Preferred

Name

Bigdentate AmpeIopsis;Japanese Raisin Tree Seed

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Bigdentate Ampelopsis;Largeleaf Ampelopsis;Japanese Raisin Tree Seed;Japanese Ampelopsis;Vermilion Rhododendron ;Japanese Katsura-tree;Vermilion Rhododendron;Bigdentate AmpeIopsis

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+)-Ampelopsin

Role

alias

Source

TCMBank

Preferred

Name

(+)-Ampelopsin

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-Ampelopsin

Role

alias

Source

HERB_v2

Preferred

Name

(+)-Dihydromyricetin

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-Dihydromyricetin

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromanone

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one

Role

alias

Source

TCMBank

Preferred

Name

(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one

Role

alias

Source

HERB_v2

Preferred

Name

(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

27200-12-0

Role

alias

Source

itcmdb_public

Preferred

Name

27200-12-0

Role

alias

Source

HERB_v2

Preferred

Name

27200-12-0

Role

alias

Source

TCMBank

Preferred

Name

2B89FBAC-4DD1-44C9-BE2A-9D0C173BDFD8

Role

alias

Source

TCMBank

Preferred

Name

3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-

Role

alias

Source

TCMBank

Preferred

Name

AB0020621

Role

alias

Source

TCMBank

Preferred

Name

AC-8004

Role

alias

Source

TCMBank

Preferred

Name

AC1L4PNK

Role

alias

Source

TCMBank

Preferred

Name

AC1Q6KIA

Role

alias

Source

TCMBank

Preferred

Name

AJ-47993

Role

alias

Source

TCMBank

Preferred

Name

AK160312

Role

alias

Source

TCMBank

Preferred

Name

AKOS022168215

Role

alias

Source

TCMBank

Preferred

Name

AN-8425

Role

alias

Source

TCMBank

Preferred

Name

AX8114231

Role

alias

Source

TCMBank

Preferred

Name

Ampelopsin (flavanol)

Role

alias

Source

TCMBank

Preferred

Name

Ampeloptin

Role

alias

Source

HERB_v2

Preferred

Name

Ampeloptin

Role

alias

Source

itcmdb_public

Preferred

Name

Ampeloptin

Role

alias

Source

TCMBank

Preferred

Name

BDBM212434

Role

alias

Source

TCMBank

Preferred

Name

BG01609529

Role

alias

Source

TCMBank

Preferred

Name

Bio-0899

Role

alias

Source

TCMBank

Preferred

Name

C02906

Role

alias

Source

TCMBank

Preferred

Name

C15H12O8

Role

alias

Source

TCMBank

Preferred

Name

CD0156

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:28429

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL3348861

Role

alias

Source

TCMBank

Preferred

Name

CS-3809

Role

alias

Source

TCMBank

Preferred

Name

CTK8E2644

Role

alias

Source

TCMBank

Preferred

Name

DTXSID50181676

Role

alias

Source

TCMBank

Preferred

Name

Dihydromyricetin

Role

alias

Source

HERB_v2

Preferred

Name

Dihydromyricetin (Ampeloptin)

Role

alias

Source

TCMBank

Preferred

Name

Dihydromyricetin (diH-Myr)

Role

alias

Source

TCMBank

Preferred

Name

Dihydromyricetin, >=98% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

Dihydromyricetin, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

FT-0686596

Role

alias

Source

TCMBank

Preferred

Name

Flavanone, 3,3',4',5,5',7-hexahydroxy-

Role

alias

Source

TCMBank

Preferred

Name

HY-N0112

Role

alias

Source

TCMBank

Preferred

Name

KD8QND6427

Role

alias

Source

TCMBank

Preferred

Name

KS-000001HH

Role

alias

Source

TCMBank

Preferred

Name

LS-39586

Role

alias

Source

TCMBank

Preferred

Name

M-1204

Role

alias

Source

TCMBank

Preferred

Name

MFCD00189451

Role

alias

Source

TCMBank

Preferred

Name

MolPort-006-069-341

Role

alias

Source

TCMBank

Preferred

Name

Myriceline spe

Role

alias

Source

HERB_v2

Preferred

Name

Myriceline spe

Role

alias

Source

itcmdb_public

Preferred

Name

NCGC00346604-01

Role

alias

Source

TCMBank

Preferred

Name

Q-100341

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL723736

Role

alias

Source

TCMBank

Preferred

Name

ST24045966

Role

alias

Source

TCMBank

Preferred

Name

TR-031359

Role

alias

Source

TCMBank

Preferred

Name

Telocapil

Role

alias

Source

HERB_v2

Preferred

Name

Telocapil

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-KD8QND6427

Role

alias

Source

TCMBank

Preferred

Name

V1568

Role

alias

Source

TCMBank

Preferred

Name

ZINC100037633

Role

alias

Source

TCMBank

Preferred

Name

rac-ampelopsin

Role

alias

Source

TCMBank

Preferred

Name

s2399

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Ampelopsin显齿蛇葡萄;大叶蛇葡萄;白蔹;枳椇子;硃砂杜鹃;日本连香树;朱砂杜鹃白蔹;显齿蛇葡萄;枳椇子BAI LIAN;XIAN CHI SHE PU TAO;ZHI JU ZIXIAN CHI SHE PU TAO;DA YE SHE PU TAO;Codrus sp.;BAI LIAN;ZHI JU ZI;PINUS SP.;ZHU SHA DU JUAN;RI BEN LIAN XIANG SHU;Cedrus sp.Bigdentate AmpeIopsis;Japanese Raisin Tree SeedBigdentate Ampelopsis;Largeleaf Ampelopsis;Japanese Raisin Tree Seed;Japanese Ampelopsis;Vermilion Rhododendron ;Japanese Katsura-tree;Vermilion Rhododendron;Bigdentate AmpeIopsis(+)-Ampelopsin(+)-Dihydromyricetin(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one(2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromanone(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one27200-12-02B89FBAC-4DD1-44C9-BE2A-9D0C173BDFD83,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)-4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-AB0020621AC-8004AC1L4PNKAC1Q6KIAAJ-47993AK160312AKOS022168215AN-8425AX8114231Ampelopsin (flavanol)BDBM212434BG01609529Bio-0899C02906C15H12O8CD0156CHEBI:28429CHEMBL3348861CS-3809CTK8E2644DTXSID50181676DihydromyricetinDihydromyricetin (Ampeloptin)Dihydromyricetin (diH-Myr)Dihydromyricetin, >=98% (HPLC)Dihydromyricetin, analytical standardFT-0686596Flavanone, 3,3',4',5,5',7-hexahydroxy-HY-N0112KD8QND6427KS-000001HHLS-39586M-1204MFCD00189451MolPort-006-069-341Myriceline speNCGC00346604-01Q-100341SCHEMBL723736ST24045966TR-031359TelocapilUNII-KD8QND6427V1568ZINC100037633rac-ampelopsins2399

Cross References

Trusted external identifiers retained for this final record.

Cas

27200-12-0

Hit

C0664

Herb

HBIN015890HBIN015902HBIN023933

Npass

NPC19721NPC19724

Tcmid

10742558232748

Tcmsp

MOL013374

Sym Map

SMIT00329SMIT18905

Tcm Id

6831

Pub Chem

161557

Tcmbank

TCMBANKIN050671TCMBANKIN051149TCMBANKIN058079

Drug Bank

DB15645

Etcm Ingredient

AmpelopsinAmpeloptin

Itcmdb Generated

ITX-INGREDIENT-223A062FFB82ITX-INGREDIENT-53AD08A42AC3ITX-INGREDIENT-671325D4ED6BITX-INGREDIENT-79CA7502E831ITX-INGREDIENT-83C7D507C099

Attributes

Merged source attributes and domain-specific metadata.

3.46423

2.02109

2.13704

Bic

0.69284

Cic

1.05932

Phi

3.74218

Sic

0.76582

Log D

0.9911.103

Sc 0

Sc 1

Sc 2

Type

Other ingredients

Alog P

1.237

Chi 0

16.8864

Chi 1

10.7906

Chi 2

10.5542

In Ch I

InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

Mol Wt

320.253

Pmi X

150.683151.113

Cas Id

27200-12-0

Energy

38.8239.06

Sc 3 C

Sc 3 P

Smiles

C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)Oc1(O[H])c([H])c(O[C@@]([H])(c2c([H])c(O[H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])C3=O)c3c(O[H])c1[H]c1([H])c([C@@]2([C@@]([H])(O[H])C(=O)c(c(O[H])c([H])c(O[H])c3[H])c3O2)[H])c([H])c(O[H])c(O[H])c1O[H]

Zagreb

126

Chi 3 C

2.15365

Chi 3 P

9.117099.1171

Chi V 0

11.4639

Chi V 1

6.49026

Chi V 2

5.09333

Kappa 1

17.8112

Kappa 2

6.71883

Kappa 3

3.25443

Mol Log P

0.8919000000000001

Sc 3 Ch

Version

v1,v2

Alog P Mr

75.155

Chi 3 Ch

Dipole X

1.524222.21424

Dipole Y

3.152013.45016

Dipole Z

-0.12713-0.13207

Iac Mean

1.54005

In Ch Ikey

KJXSIXMJHKAJOD-LSDHHAIUSA-N

Is Chiral

Ob Score

23.47685923.4768594523.477

Suppress

Tcm Name

显齿蛇葡萄;大叶蛇葡萄;白蔹;枳椇子;硃砂杜鹃;日本连香树;朱砂杜鹃白蔹;显齿蛇葡萄;枳椇子

Chi V 3 C

0.74323

Chi V 3 P

3.54239

Es Sum D O

12.223

Es Sum T N

E Adj Equ

333.714

E Adj Mag

474.842

Hba Count

Hbd Count

Iac Total

53.902

Jurs Rasa

0.358470.36026

Jurs Rncg

0.13357

Jurs Rncs

4.264884.49387

Jurs Rpcg

0.17356

Jurs Rpcs

1.089921.13184

Jurs Rpsa

0.639730.64152

Jurs Sasa

471.302473.659

Jurs Tasa

169.793

Jurs Tpsa

301.509303.866

Num Atoms

Num Bonds

Num Rings

Shadow Xy

84.775784.7914

Shadow Xz

41.178841.384

Shadow Yz

26.211826.4109

Shadow Nu

3.364973.3806

Tcm Name2

BAI LIAN;XIAN CHI SHE PU TAO;ZHI JU ZIXIAN CHI SHE PU TAO;DA YE SHE PU TAO;Codrus sp.;BAI LIAN;ZHI JU ZI;PINUS SP.;ZHU SHA DU JUAN;RI BEN LIAN XIANG SHU;Cedrus sp.

V Adj Equ

238.776

V Adj Mag

282.193

Mol2 Path

/TCM_database/2003_3d_all/384.mol2/TCM_database/2003_3d_all/386.mol2

Reference

6, 391, 4666, 391, 466, 605, 658, 5508

Chi V 3 Ch

Dipole Mag

3.774173.85411

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

57.717

Es Sum Ss O

5.417

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

15.7153

Kappa 2 Am

5.47683

Kappa 3 Am

2.53888

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

4.06

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

-3.373

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

Es Sum Dss C

-0.847

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-323.43-323.488

Jurs Dpsa 3

116.052117.056

Jurs Fnsa 1

0.841410.84318

Jurs Fnsa 2

-2.40488-2.40994

Jurs Fnsa 3

-0.22797-0.22869

Jurs Fpsa 1

0.156810.15858

Jurs Fpsa 2

0.179890.18192

Jurs Fpsa 3

0.018270.01844

Jurs Pnsa 1

397.395398.545

Jurs Pnsa 2

-1135.81-1139.09

Jurs Pnsa 3

-107.439-108.321

Jurs Ppsa 1

73.90775.1146

Jurs Ppsa 3

8.612848.73452

Jurs Wnsa 1

187.293188.774

Jurs Wnsa 2

-535.309-539.542

Jurs Wnsa 3

-50.6362-51.3073

Jurs Wpsa 1

34.832535.5788

Jurs Wpsa 3

4.059254.13719

Num Pi Bonds

Tcm Name En

Bigdentate AmpeIopsis;Japanese Raisin Tree Seed Bigdentate Ampelopsis;Largeleaf Ampelopsis;Japanese Raisin Tree Seed;Japanese Ampelopsis;Vermilion Rhododendron ;Japanese Katsura-tree;Vermilion Rhododendron;Bigdentate AmpeIopsis

Admet Psa 2 D

151.123

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

-3.033

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

1.237

Admet Ext Ppb

-7.42736

Drug Likeness

0.424

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

3.490133.49528

Shadow Xyfrac

0.696290.69887

Shadow Xzfrac

0.734980.73982

Shadow Yzfrac

0.726980.73333

Strain Energy

34.8435.78

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

320.053

Molecular Sasa

462.213

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

13.730513.7515

Shadow Ylength

8.836228.85374

Shadow Zlength

4.067764.08042

Admet Bbb Level

Isomeric Smiles

C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O

Molecular Savol

413.597

Molecule Weight

320.27

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-2.0455

Admet Solubility

-2.701

Canonical Smiles

C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O

Herb Alias Names

Dihydromyricetin27200-12-0Ampeloptin(+)-Dihydromyricetin(+)-Ampelopsin(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-oneTelocapilMyriceline spe(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one

Minimized Energy

3.044.22

Molecular Weight

320.050

Molecular Volume

229.8230.15

Molecular Weight

320.25 g/mol320.251

Molecule Formula

C15H12O8

Num Macro Chains

Molecular Formula

C15H12O8

Molecular Formula

C15H12O8

Molecular Formula

C15H12O8

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

262.531

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-0.94

Admet Ext Hepatotoxic

-0.064877

Admet Unknown Alog P98

Molecular Surface Area

284.15

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

147.68

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.567

Admet Ext Ppb Applicability#Md

12.9382

Fda Maximum Daily Dose (Fdamdd)

0.710

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

17.2234

Admet Ext Ppb Applicability#Mdpvalue

0.006914

Molecular Fractional Polar Surface Area

0.519

Admet Ext Hepatotoxic Applicability#Md

10.9672

Admet Ext Cyp2 D6 Applicability#Mdpvalue

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.006876

Quantitative Estimate Of Drug Likeness（Qed）

0.425