Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Reference: 1Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25766
- Core Entity Id
- 31834
- Source Entity Count
- 1
- Preferred Name
- Medicarpin
- Name En
- Pubchem Id
- 336327
- Smiles Canonical
- COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- NSRJSISNDPOJOP-BBRMVZONSA-N
- Inchi
- InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
- Isomeric Smiles
- COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O
- Cas Id
- 32383-76-9
- Ob Score
- 49.2198
- Mol Logp
- 3.0105
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8650
- Polar Surface Area
- 47.9200
- Molecular Volume
- 199.2800
- Alogp
- 2.5530
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(?)-Medicarpin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-medicarpin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-medicarpin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-Medicarpin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Medicarpin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Medicarpin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
广布丁公藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
降香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄耆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG BU DING GONG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
膜荚黄耆Astragalus membranaceus; 蒙古黄耆Astragalus mongholicus
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Astragalus root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Dalbergia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Expanse Erycibe*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Medicrpin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Medicrpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-Medicarpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Demethylhomopterocarpin
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Medicarpin
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Medicarpin
Role
alias
Source
HERB_v2
Preferred
No
Name
(6As,11As)-Medicarpin
Role
alias
Source
HERB_v2
Preferred
No
Name
(6As,11As)-Medicarpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(l)-De-o-methylhomopterocarpan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(l)-De-o-methylhomopterocarpan
Role
alias
Source
TCMBank
Preferred
No
Name
(l)-De-o-methylhomopterocarpan
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
HERB_v2
Preferred
No
Name
32383-76-9
Role
alias
Source
HERB_v2
Preferred
No
Name
32383-76-9
Role
alias
Source
TCMBank
Preferred
No
Name
32383-76-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
33983-39-0
Role
alias
Source
HERB_v2
Preferred
No
Name
33983-39-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
33983-40-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
33983-40-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-
Role
alias
Source
TCMBank
Preferred
No
Name
6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_001568
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS031298
Role
alias
Source
TCMBank
Preferred
No
Name
C10503
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:100
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:100
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:16114
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:6714
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6714
Role
alias
Source
itcmdb_public
Preferred
No
Name
Demethylhomopterocarpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Demethylhomopterocarpin
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001319
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_003118
Role
alias
Source
TCMBank
Preferred
No
Name
NSC350085
Role
alias
Source
TCMBank
Preferred
No
Name
l-3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
TCMBank
Preferred
No
Name
l-3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
HERB_v2
Preferred
No
Name
l-3-Hydroxy-9-methoxypterocarpan
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.化瘀止血药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
stasis-resolving hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
L-3-Hydroxy-9-Methoxypterocarpan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-3-Hydroxy-9-methoxypterocarpan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
黄芪;易变黄檀;斯特文黄檀;无刺柯桠树;蒙古黄芪;红车轴草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Membranous Milkvetch
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(?)-Medicarpin(+)-medicarpin(-)-Medicarpin广布丁公藤降香黄耆GUANG BU DING GONG TENG膜荚黄耆Astragalus membranaceus; 蒙古黄耆Astragalus mongholicusAstragalus rootDalbergiaExpanse Erycibe*(+)-Medicrpin(+/-)-Medicarpin(-)-3-Hydroxy-9-methoxypterocarpan(-)-Demethylhomopterocarpin(6As,11As)-Medicarpin(6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol(l)-De-o-methylhomopterocarpan3-Hydroxy-9-methoxypterocarpan32383-76-933983-39-033983-40-36H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-ACon1_001568AIDS031298C10503CHEBI:100CHEBI:16114CHEBI:6714DemethylhomopterocarpinMEGxp0_001319NCI60_003118NSC350085l-3-Hydroxy-9-methoxypterocarpan13.补虚药(60-62)7.止血药(25-26)hemostatic medicinaltonifying and replenishing medicinal1.补气药(15-15)2.化瘀止血药(5-5)qi-tonifying medicinalstasis-resolving hemostatic medicinal黄芪;易变黄檀;斯特文黄檀;无刺柯桠树;蒙古黄芪;红车轴草HUANG QIMembranous Milkvetch
Cross References
Trusted external identifiers retained for this final record.
Cas
32383-76-933983-39-0
Herb
HBIN034623HBIN034625HBIN034627
Npass
NPC39064NPC47283
Tcmid
13631329894064024387
Tcmsp
MOL002565MOL011076
Sym Map
SMIT04783SMIT12028SMIT16445SMIT19930SMIT18601
Tcm Id
1514115868158691933820363203642036523303233042786
Pub Chem
33632762306073067
Tcmbank
TCMBANKIN038286TCMBANKIN040177TCMBANKIN051961TCMBANKIN061885TCMBANKIN056145
Etcm Ingredient
(-)-Medicarpin
Itcmdb Generated
ITX-INGREDIENT-14D413FC468EITX-INGREDIENT-36813098135BITX-INGREDIENT-9B1F7AD263E0ITX-INGREDIENT-F22685FA9AA3ITX-INGREDIENT-B6E4077543C1
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.521923.62192
Jx
1.715461.75564
Jy
1.796831.83958
Bic
0.724970.73813
Cic
0.699990.8
Phi
2.516632.64896
Sic
0.814890.83803
Log D
2.4052.676
Sc 0
20
Sc 1
23
Sc 2
34
Type
Other ingredients
Alog P
2.5532.682
Chi 0
13.6899
Chi 1
9.75835
Chi 2
8.99417
In Ch I
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m1/s1
Mol Wt
270.2839999999999
Pmi X
63.623567.3773
Cas Id
32383-76-9
Energy
61.5763.53
Sc 3 C
8
Sc 3 P
49
Smiles
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)Oc1(O[H])c([H])c(OC([H])([H])[C@@]([H])(c2c(c([H])c(OC([H])([H])[H])c([H])c2[H])O3)[C@@]34[H])c4c([H])c1[H]c1(O[H])c([H])c(OC([H])=C(c2c(c([H])c(OC([H])([H])[H])c([H])c2[H])O3)[C@]34[H])c4c([H])c1[H]
Zagreb
114
37 Flag
37
Chi 3 C
1.37046
Chi 3 P
8.12612
Chi V 0
10.790810.9979
Chi V 1
6.307726.5636
Chi V 2
4.773155.08183
C Count
16
Kappa 1
13.6484
Kappa 2
5.32525
Kappa 3
2.29404
Mol Log P
3.010500000000002
N Count
0
O Count
4
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
72.62272.774
Chi 3 Ch
0
Dipole X
-2.14161-2.23733
Dipole Y
-0.28221-0.31656
Dipole Z
-0.933490.84321
Iac Mean
1.402081.40563
In Ch Ikey
NSRJSISNDPOJOP-BBRMVZONSA-NNSRJSISNDPOJOP-CZUORRHYSA-N
Is Chiral
0
Ob Score
49.2198176149.21981849.2260.45760.45747431
Suppress
0
Tcm Name
广布丁公藤降香黄耆
Admet Bbb
-0.078-0.118
Chi V 3 C
0.558180.61298
Chi V 3 P
3.619543.96165
Es Sum D O
0
Es Sum T N
0
E Adj Equ
292.766
E Adj Mag
413.947
Hba Count
3
Hbd Count
1
Iac Total
44.980447.6708
Jurs Rasa
0.732960.73505
Jurs Rncg
0.229730.23678
Jurs Rncs
11.913812.3303
Jurs Rpcg
0.174830.20197
Jurs Rpcs
1.689082.14639
Jurs Rpsa
0.264940.26703
Jurs Sasa
427.719431.1
Jurs Tasa
313.501316.882
Jurs Tpsa
114.218
Num Atoms
20
Num Bonds
23
Num Rings
4
Shadow Xy
68.388673.7228
Shadow Xz
45.033755.4697
Shadow Yz
23.679728.5622
Shadow Nu
2.782863.37142
Tcm Name2
GUANG BU DING GONG TENG膜荚黄耆Astragalus membranaceus; 蒙古黄耆Astragalus mongholicus
V Adj Equ
205.926
V Adj Mag
254.084
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/黄耆/膜荚黄耆Astragalus membranaceus/structure/3D/Medicarpin.mol2/TCM_database/2007_3d_all/13638.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/降香/3D/medicarpin.mol2
Reference
2, 660, 661, 1521, 4095
Chi V 3 Ch
0
Dipole Mag
2.323292.44063
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
9.5129.533
Es Sum Ss O
16.82217.072
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
11.814312.0537
Kappa 2 Am
4.260314.39527
Kappa 3 Am
1.743531.81166
Num Hdonors
1
Num Chains
2
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
3
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
10.79111.054
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
4.2654.673
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
01.685
Es Sum Dss C
00.986
Es Sum S Ch3
1.6291.643
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-135.472-143.684
Jurs Dpsa 3
52.367353.3479
Jurs Fnsa 1
0.658360.66664
Jurs Fnsa 2
-1.00315-1.04695
Jurs Fnsa 3
-0.10373-0.10515
Jurs Fpsa 1
0.333350.34163
Jurs Fpsa 2
0.192330.20202
Jurs Fpsa 3
0.01860.0187
Jurs Pnsa 1
281.595287.392
Jurs Pnsa 2
-429.064-451.339
Jurs Pnsa 3
-44.3664-45.329
Jurs Ppsa 1
143.708146.123
Jurs Ppsa 3
8.000868.01884
Jurs Wnsa 1
120.444123.895
Jurs Wnsa 2
-183.519-194.572
Jurs Wnsa 3
-18.9764-19.5414
Jurs Wpsa 1
61.952662.4997
Jurs Wpsa 3
3.422123.45692
Num Pi Bonds
0
Tcm Name En
Astragalus rootDalbergiaExpanse Erycibe*
Level1 Name
13.补虚药(60-62)7.止血药(25-26)
Level2 Name
1.补气药(15-15)2.化瘀止血药(5-5)
Admet Psa 2 D
47.605
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
1
Es Count Ss O
3
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
00.555
Es Sum Ss Nh2
0
Es Sum Sss Ch
-0.1940.133
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
4
Num H Donors
1
Admet Alog P98
2.5532.682
Admet Ext Ppb
-1.331570.278508
Drug Likeness
0.865
Es Count Aa Ch
6
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
6
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
01
Es Count Dss C
01
Es Count S Ch3
1
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
4
Num Fragments
1
Num Hydrogens
1214
Num Ring Bonds
20
Organic Count
20
Rad Of Gyration
3.215983.2908
Shadow Xyfrac
0.666070.66742
Shadow Xzfrac
0.702080.72907
Shadow Yzfrac
0.721290.77572
Strain Energy
38.2640
Es Count Ss Ch2
01
Es Count Ss Nh2
0
Es Count Sss Ch
12
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
268.074270.089
Molecular Sasa
437.338441.642
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
14.550914.7055
Shadow Ylength
7.041917.52661
Shadow Zlength
4.36185.22873
Level1 Name En
hemostatic medicinaltonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinalstasis-resolving hemostatic medicinal
Admet Bbb Level
2
Isomeric Smiles
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)OCOC1=CC2=C(C=C1)[C@H]3COC4=C([C@H]3O2)C=CC(=C4)O
Molecular Savol
388.917390.218
Molecule Weight
270.3
Num Atom Classes
20
Num Bridge Bonds
0
Num H Acceptors
4
Num Repeat Units
0
Admet Ext Cyp2 D6
-1.26160.107621
Admet Solubility
-3.814-3.926
Canonical Smiles
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O
Herb Alias Names
32383-76-9(-)-MedicarpinDemethylhomopterocarpinMedicarpin, (-)-l-3-Hydroxy-9-methoxypterocarpan(l)-De-o-methylhomopterocarpan(-)-3-Hydroxy-9-methoxypterocarpanCHEBI:100(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Minimized Energy
23.3123.53
Molecular Weight
270.090
Molecular Volume
199.28209.57
Molecular Weight
268.264270.28270.28 g/mol
Num Macro Chains
0
Molecular Formula
C16H14O4
Molecular Formula
C16H12O4C16H14O4
Molecular Formula
C16H14O4
Num Rotatable Bonds
1
Num Aromatic Bonds
12
Num Aromatic Rings
2
Num Explicit Atoms
20
Num Explicit Bonds
23
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
1
Molecular Polar Sasa
70.245
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-3.029-3.045
Admet Ext Hepatotoxic
-1.720340.840489
Admet Unknown Alog P98
0
Molecular Surface Area
245.04249.06
Num Explicit Hydrogens
0
Num H Donors Lipinski
1
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
4
Molecular Polar Surface Area
47.92
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.1590.16
Admet Ext Ppb Applicability#Md
10.54719.79214
Fda Maximum Daily Dose (Fdamdd)
0.870
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
10.00479.40877
Admet Ext Ppb Applicability#Mdpvalue
0.7143790.944733
Molecular Fractional Polar Surface Area
0.1920.195
Admet Ext Hepatotoxic Applicability#Md
10.015710.6952
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.1161390.25384
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.0156120.087016
Quantitative Estimate Of Drug Likeness（Qed）
0.865