IngredientID 22172

Inosine

C10H12N4O5

Relationship Network

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

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Trial: 7Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 2Reference: 2Target: 15Links: 41

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22172
Core Entity Id: 27827
Source Entity Count: 1
Preferred Name: Inosine
Name En
Pubchem Id: 135398641
Smiles Canonical: O=c1nc[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Molecular Formula: C10H12N4O5
Molecular Weight: 268.2290
Inchikey: UGQMRVRMYYASKQ-KQYNXXCUSA-N
Inchi: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Isomeric Smiles: C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Cas Id
Ob Score: 11.1710
Mol Logp: -2.2689
Num H Donors: 4
Num H Acceptors: 8
Num Rotatable Bonds: 2
Drug Likeness: 0.4820
Polar Surface Area: 129.2000
Molecular Volume: 188.3000
Alogp: -1.3760

Names

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

Name

Hypoxanthine-9-beta-d-ribofuranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Hypoxanthine-9-beta-d-ribofuranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Inosine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Inosine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Inosine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Inosine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Inosine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

枸杞叶;甜菜;冬虫夏草;人工蛹虫草

Role

TCM_name

Source

TCMBank

Preferred

Name

韮子

Role

TCM_name

Source

TCMBank

Preferred

Name

Allium tuberosum Rottl

Role

TCM_name2

Source

TCMBank

Preferred

Name

GOU QI YE;TIAN CAI;DONG CHONG XIA CAO;REN GONG YONG CHONG CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Allium tuberosum Rottl

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Chinese Wolfberry Leaf;Common Beet;Aweto (Chinese Caterpillar Fungus);Cultivated Scarlet Caterpillar Fungus*

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(-)-Inosine

Role

alias

Source

TCMBank

Preferred

Name

1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one

Role

alias

Source

TCMBank

Preferred

Name

12712-98-0

Role

alias

Source

TCMBank

Preferred

Name

132953-54-9

Role

alias

Source

TCMBank

Preferred

Name

28861-88-3

Role

alias

Source

TCMBank

Preferred

Name

4181-51-5

Role

alias

Source

TCMBank

Preferred

Name

58-63-9

Role

alias

Source

HERB_v2

Preferred

Name

58-63-9

Role

alias

Source

itcmdb_public

Preferred

Name

6H-Purin-6-one, 1,9-dihydro-9-beta-D-ribofuranosyl-

Role

alias

Source

TCMBank

Preferred

Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one

Role

alias

Source

TCMBank

Preferred

Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Role

alias

Source

TCMBank

Preferred

Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

Role

alias

Source

TCMBank

Preferred

Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one

Role

alias

Source

TCMBank

Preferred

Name

9-beta-D-Ribofuranosylhypoxanthine

Role

alias

Source

TCMBank

Preferred

Name

9-beta-D-ribofuranosyl-9H-purin-6-ol

Role

alias

Source

TCMBank

Preferred

Name

962ABA7D-F602-497D-AD86-94526094D87E

Role

alias

Source

TCMBank

Preferred

Name

AI3-52241

Role

alias

Source

TCMBank

Preferred

Name

AIDS-008385

Role

alias

Source

TCMBank

Preferred

Name

Atorel

Role

alias

Source

HERB_v2

Preferred

Name

Atorel

Role

alias

Source

itcmdb_public

Preferred

Name

Atorel

Role

alias

Source

TCMBank

Preferred

Name

BB_NC-0564

Role

alias

Source

TCMBank

Preferred

Name

C00294

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:17596

Role

alias

Source

TCMBank

Preferred

Name

D00054

Role

alias

Source

TCMBank

Preferred

Name

EINECS 200-390-4

Role

alias

Source

TCMBank

Preferred

Name

HXR

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine 9-beta-D-ribofuranoside

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine D-riboside

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine nucleoside

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine ribonucleoside

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine riboside

Role

alias

Source

HERB_v2

Preferred

Name

Hypoxanthine riboside

Role

alias

Source

itcmdb_public

Preferred

Name

Hypoxanthine riboside

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthine, 9-beta-D-ribofuranosyl-

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthosine

Role

alias

Source

TCMBank

Preferred

Name

Hypoxanthosine

Role

alias

Source

HERB_v2

Preferred

Name

Hypoxanthosine

Role

alias

Source

itcmdb_public

Preferred

Name

I4125_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

INO 495

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s

Role

alias

Source

TCMBank

Preferred

Name

Inosin

Role

alias

Source

TCMBank

Preferred

Name

Inosina [INN-Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Inosine (8CI,9CI)

Role

alias

Source

TCMBank

Preferred

Name

Inosine (JAN/INN)

Role

alias

Source

TCMBank

Preferred

Name

Inosine [INN:JAN]

Role

alias

Source

TCMBank

Preferred

Name

Inosinum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

Inotin

Role

alias

Source

TCMBank

Preferred

Name

Inotin (TN)

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002560

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005128

Role

alias

Source

TCMBank

Preferred

Name

KBio2_007696

Role

alias

Source

TCMBank

Preferred

Name

KBio3_003038

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_002560

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_002569

Role

alias

Source

TCMBank

Preferred

Name

MLS000028518

Role

alias

Source

TCMBank

Preferred

Name

NOS

Role

alias

Source

TCMBank

Preferred

Name

NSC 20262

Role

alias

Source

TCMBank

Preferred

Name

Oxiamin

Role

alias

Source

HERB_v2

Preferred

Name

Oxiamin

Role

alias

Source

TCMBank

Preferred

Name

Oxiamin

Role

alias

Source

itcmdb_public

Preferred

Name

Panholic-L

Role

alias

Source

TCMBank

Preferred

Name

Pantholic-L

Role

alias

Source

itcmdb_public

Preferred

Name

Pantholic-L

Role

alias

Source

HERB_v2

Preferred

Name

Pantholic-L

Role

alias

Source

TCMBank

Preferred

Name

Ribonosine

Role

alias

Source

TCMBank

Preferred

Name

Ribonosine

Role

alias

Source

itcmdb_public

Preferred

Name

Ribonosine

Role

alias

Source

HERB_v2

Preferred

Name

SMP1_000165

Role

alias

Source

TCMBank

Preferred

Name

SMR000058316

Role

alias

Source

TCMBank

Preferred

Name

ST5308705

Role

alias

Source

TCMBank

Preferred

Name

Selfer

Role

alias

Source

HERB_v2

Preferred

Name

Selfer

Role

alias

Source

TCMBank

Preferred

Name

Selfer

Role

alias

Source

itcmdb_public

Preferred

Name

Trophicardyl

Role

alias

Source

itcmdb_public

Preferred

Name

Trophicardyl

Role

alias

Source

HERB_v2

Preferred

Name

Trophicardyl

Role

alias

Source

TCMBank

Preferred

Name

ZINC02169852

Role

alias

Source

TCMBank

Preferred

Name

ZINC05127790

Role

alias

Source

TCMBank

Preferred

Name

beta-D-Ribofuranoside, hypoxanthine-9

Role

alias

Source

TCMBank

Preferred

Name

beta-Inosine

Role

alias

Source

TCMBank

Preferred

Name

cMAP_000084

Role

alias

Source

TCMBank

Preferred

Name

inosine

Role

alias

Source

HERB_v2

Preferred

Name

inosine

Role

alias

Source

itcmdb_public

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.补阳药(22-23)

Role

level2_name

Source

TCMBank

Preferred

Name

yang-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Hypoxanthine-9-beta-d-ribofuranoside枸杞叶;甜菜;冬虫夏草;人工蛹虫草韮子Allium tuberosum RottlGOU QI YE;TIAN CAI;DONG CHONG XIA CAO;REN GONG YONG CHONG CAOChinese Wolfberry Leaf;Common Beet;Aweto (Chinese Caterpillar Fungus);Cultivated Scarlet Caterpillar Fungus*(-)-Inosine1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one12712-98-0132953-54-928861-88-34181-51-558-63-96H-Purin-6-one, 1,9-dihydro-9-beta-D-ribofuranosyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one9-beta-D-Ribofuranosylhypoxanthine9-beta-D-ribofuranosyl-9H-purin-6-ol962ABA7D-F602-497D-AD86-94526094D87EAI3-52241AIDS-008385AtorelBB_NC-0564C00294CHEBI:17596D00054EINECS 200-390-4HXRHypoxanthine 9-beta-D-ribofuranosideHypoxanthine D-ribosideHypoxanthine nucleosideHypoxanthine ribonucleosideHypoxanthine ribosideHypoxanthine, 9-beta-D-ribofuranosyl-HypoxanthosineI4125_SIGMAINO 495InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/sInosinInosina [INN-Spanish]Inosine (8CI,9CI)Inosine (JAN/INN)Inosine [INN:JAN]Inosinum [INN-Latin]InotinInotin (TN)KBio2_002560KBio2_005128KBio2_007696KBio3_003038KBioGR_002560KBioSS_002569MLS000028518NOSNSC 20262OxiaminPanholic-LPantholic-LRibonosineSMP1_000165SMR000058316ST5308705SelferTrophicardylZINC02169852ZINC05127790beta-D-Ribofuranoside, hypoxanthine-9beta-InosinecMAP_00008413.补虚药(60-62)tonifying and replenishing medicinal2.补阳药(22-23)yang-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas

58-63-9

Hit

C0144

Herb

HBIN029879HBIN029880HBIN030187

Npass

NPC54320NPC79321

Tcmid

1107936648

Tcmsp

MOL006948

Sym Map

SMIT00667

Pub Chem

135398641

Tcmbank

TCMBANKIN052390TCMBANKIN053434TCMBANKIN058453

Etcm Ingredient

Inosine

Itcmdb Generated

ITX-INGREDIENT-03EBB0A6DA77ITX-INGREDIENT-6BC869A9FE08ITX-INGREDIENT-AE32E9374B69ITX-INGREDIENT-E17DB829790E

Attributes

Merged source attributes and domain-specific metadata.

3.721613.93213

1.825631.90987

1.982742.07398

Bic

0.791750.84156

Cic

0.315780.52631

Phi

2.823322.91566

Sic

0.87610.92566

Log D

-1.197-2.053

Sc 0

Sc 1

Sc 2

Type

Other ingredients

Alog P

-1.376-2.249

Chi 0

13.5685

Chi 1

9.13022

Chi 2

8.26321

In Ch I

InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

Mol Wt

268.229

Pmi X

73.723174.3686

Energy

70.178.12

Sc 3 C

Sc 3 P

Smiles

C1([H])=NC(c2c(n([C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])c([H])n2)N1[H])=OC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)On1c(O[H])c(nc([H])n2[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]3([H])O[H])c2nc1[H]

Zagreb

104

37 Flag

Chi 3 C

1.3316

Chi 3 P

7.75853

Chi V 0

9.657169.67098

Chi V 1

5.62135.65869

Chi V 2

4.250184.28559

C Count

Kappa 1

13.9592

Kappa 2

5.41311

Kappa 3

2.27555

Mol Log P

-2.2689

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

59.23860.094

Chi 3 Ch

Dipole X

-1.980674.94875

Dipole Y

-3.99516-9.36416

Dipole Z

-1.478311.23598

Iac Mean

1.86231

In Ch Ikey

UGQMRVRMYYASKQ-KQYNXXCUSA-N

Is Chiral

Ob Score

11.17111.1714616811.171462; 10.347132

Suppress

Tcm Name

枸杞叶;甜菜;冬虫夏草;人工蛹虫草韮子

Chi V 3 C

0.559650.56119

Chi V 3 P

3.130763.1707

Es Sum D O

011.433

Es Sum T N

E Adj Equ

258.329

E Adj Mag

369.16

Hba Count

Hbd Count

Iac Total

57.7316

Jurs Rasa

0.418310.43965

Jurs Rncg

0.144820.14833

Jurs Rncs

6.268946.42105

Jurs Rpcg

0.154630.2315

Jurs Rpcs

1.456622.18067

Jurs Rpsa

0.560340.58168

Jurs Sasa

404.067406.618

Jurs Tasa

170.094177.649

Jurs Tpsa

226.418236.525

Num Atoms

Num Bonds

Num Rings

Shadow Xy

67.659767.7231

Shadow Xz

43.174443.4115

Shadow Yz

24.554424.6674

Shadow Nu

2.910362.93559

Tcm Name2

Allium tuberosum RottlGOU QI YE;TIAN CAI;DONG CHONG XIA CAO;REN GONG YONG CHONG CAO

V Adj Equ

187.272

V Adj Mag

226.477

Mol2 Path

/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/韮子/structure/inosine.mol2; /TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/韮子/Allium tuberosum Rottl/structure/inosine.mol2/TCM_database/2003_3d_all/4281.mol2

Reference

6, 5507, 5512

Chi V 3 Ch

Dipole Mag

6.479129.68482

Es Sum Aa N

15.3847.98

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

03.492

Es Sum S Oh

28.52538.015

Es Sum Ss O

5.2465.247

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

12.235412.3872

Kappa 2 Am

4.384234.47217

Kappa 3 Am

1.747611.7916

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

1.062.156

Es Sum Aa Nh

Es Sum Aaa C

00.071

Es Sum Aas C

-0.3450.078

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

01.149

Es Sum Dss C

-0.5640

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

02.628

Es Sum Sss N

Jurs Dpsa 1

-50.956-51.0917

Jurs Dpsa 3

91.93696.5696

Jurs Fnsa 1

0.562820.56305

Jurs Fnsa 2

-1.49308-1.53007

Jurs Fnsa 3

-0.18103-0.19137

Jurs Fpsa 1

0.436940.43717

Jurs Fpsa 2

0.551620.56424

Jurs Fpsa 3

0.045070.04762

Jurs Pnsa 1

227.512228.855

Jurs Pnsa 2

-607.111-618.251

Jurs Pnsa 3

-73.6069-77.3252

Jurs Ppsa 1

176.556177.763

Jurs Ppsa 3

18.32919.2444

Jurs Wnsa 1

91.9393.0566

Jurs Wnsa 2

-246.863-249.815

Jurs Wnsa 3

-29.9299-31.2446

Jurs Wpsa 1

71.340472.2818

Jurs Wpsa 3

7.452927.77601

Num Pi Bonds

Tcm Name En

Allium tuberosum RottlChinese Wolfberry Leaf;Common Beet;Aweto (Chinese Caterpillar Fungus);Cultivated Scarlet Caterpillar Fungus*

Level1 Name

13.补虚药(60-62)

Level2 Name

2.补阳药(22-23)

Admet Psa 2 D

129.42131.323

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

-0.456-0.458

Es Sum Ss Nh2

Es Sum Sss Ch

-4.743

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

-1.516-2.249

Admet Ext Ppb

-24.7929-26.0366

Drug Likeness

0.482

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

2.949322.94983

Shadow Xyfrac

0.671050.67647

Shadow Xzfrac

0.696070.69975

Shadow Yzfrac

0.714910.7171

Strain Energy

21.4229.88

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

268.081

Molecular Sasa

417.212426.813

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

13.400313.5307

Shadow Ylength

7.451647.47091

Shadow Zlength

4.604324.60919

Level1 Name En

tonifying and replenishing medicinal

Level2 Name En

yang-tonifying medicinal

Admet Bbb Level

Isomeric Smiles

C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Molecular Savol

369.692378.441

Molecule Weight

268.26

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-1.03692-4.05403

Admet Solubility

-0.1560.346

Canonical Smiles

C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

Herb Alias Names

inosine58-63-9HypoxanthosineRibonosineAtorelOxiaminHypoxanthine ribosideTrophicardylSelferPantholic-L

Minimized Energy

48.2448.68

Molecular Weight

268.080

Molecular Volume

188.3193.1

Molecular Weight

268.226268.23g/mol

Molecule Formula

C10H12N4O5

Num Macro Chains

Molecular Formula

C10H12N4O5

Molecular Formula

C10H12N4O5

Molecular Formula

C10H12N4O5

Num Rotatable Bonds

Num Aromatic Bonds

105

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

208.755221.591

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-0.161-0.602

Admet Ext Hepatotoxic

-2.504183.56269

Admet Unknown Alog P98

Molecular Surface Area

247.61253.41

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

129.2133.75

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.4890.531

Admet Ext Ppb Applicability#Md

12.147412.8869

Fda Maximum Daily Dose (Fdamdd)

0.015

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

17.673422.3248

Admet Ext Ppb Applicability#Mdpvalue

0.0081960.067315

Molecular Fractional Polar Surface Area

0.5210.527

Admet Ext Hepatotoxic Applicability#Md

10.357810.5674

Admet Ext Cyp2 D6 Applicability#Mdpvalue

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.0223620.038906

Quantitative Estimate Of Drug Likeness（Qed）

0.482