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
- 19966
- Core Entity Id
- 25372
- Source Entity Count
- 1
- Preferred Name
- Geniposidic acid
- Name En
- Pubchem Id
- 443354
- Smiles Canonical
- C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
- Molecular Formula
- C10H12O5
- Molecular Weight
- 212.2010
- Inchikey
- SLUWJPWHBUWROV-GTNGPMTGSA-N
- Inchi
- InChI=1S/C10H12O5/c11-3-5-1-2-6-7(9(12)13)4-15-10(14)8(5)6/h1,4,6,8,10-11,14H,2-3H2,(H,12,13)/t6-,8-,10-/m1/s1
- Isomeric Smiles
- C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O)C(=O)O)CO
- Cas Id
- 27741-01-1
- Ob Score
- 19.5893
- Mol Logp
- -0.1417
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.2880
- Polar Surface Area
- 166.1400
- Molecular Volume
- 282.9700
- Alogp
- -2.2910
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Geniposidie Acid_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Geniposidic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Geniposidic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Geniposidic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Geniposidic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Geniposidic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Geniposidie Acid_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Geniposidie acid_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Geniposidie acid_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
geniposidie acid_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
龙船花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LONG CHUAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Ixora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
27741-01-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
27741-01-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5301
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5301
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL460031
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL460031
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40182091
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40182091
Role
alias
Source
HERB_v2
Preferred
No
Name
Genioisidic acid_qt
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL16034417
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16034417
Role
alias
Source
HERB_v2
Preferred
No
Name
geniposidic acid_qt
Role
alias
Source
TCMBank
Preferred
No
Name
白花蛇舌草;车前子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Plantago asiatica
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Oldenlandia diffusa;Plantain herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64);4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30);2.利水通淋药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
27932-72-5
Role
alias
Source
TCMBank
Preferred
No
Name
C11673
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acid
Role
alias
Source
TCMBank
Preferred
No
Name
geniposidicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Geniposidie Acid_Qt龙船花LONG CHUAN HUAChinese Ixora(1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid27741-01-1CHEBI:5301CHEMBL460031Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-DTXSID40182091Genioisidic acid_qtSCHEMBL16034417geniposidic acid_qt白花蛇舌草;车前子Plantago asiaticaOldenlandia diffusa;Plantain herb2.清热药(64-64);4.利水渗湿药(27-27)heat-clearing medicinal3.清热解毒药(30-30);2.利水通淋药(11-11)heat-clearing and detoxicating medicinal(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid(1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid(1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid27932-72-5C11673Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acidgeniposidicacid
Cross References
Trusted external identifiers retained for this final record.
Cas
27741-01-1
Herb
HBIN027453HBIN027455HBIN027441HBIN027452
Npass
NPC241911NPC255999
Tcmid
3101633054330558276
Tcmsp
MOL001668MOL001669MOL009037
Sym Map
SMIT04044SMIT04045SMIT10225SMIT15516SMIT19200
Tcm Id
24713
Pub Chem
44335490407790
Tcmbank
TCMBANKIN005952TCMBANKIN038001TCMBANKIN054725TCMBANKIN058551
Etcm Ingredient
Geniposidic acid
Itcmdb Generated
ITX-INGREDIENT-62B41AA9B56FITX-INGREDIENT-B3853B4F5809ITX-INGREDIENT-4F02EB9442F0
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.69026
Jx
1.6986
Jy
1.8308
Bic
0.74487
Cic
1.01017
Phi
5.86788
Sic
0.78508
Log D
-3.666
Sc 0
26
Sc 1
28
Sc 2
41
Type
Blood ingredients,Other ingredients,Metabolic ingredientsOther ingredients
Alog P
-2.291
Chi 0
19.0077
Chi 1
12.3834
Chi 2
11.2093
In Ch I
InChI=1S/C10H12O5/c11-3-5-1-2-6-7(9(12)13)4-15-10(14)8(5)6/h1,4,6,8,10-11,14H,2-3H2,(H,12,13)/t6-,8-,10-/m1/s1InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
Mol Wt
212.201374.3420000000001
Pmi X
268.809
Cas Id
27741-01-1
Energy
36.03
Sc 3 C
11
Sc 3 P
58
Smiles
O1[C@@]([H])(O[C@]([H])(O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(C(C([H])([H])O[H])=C([H])C3([H])[H])[C@@]3([H])C(C(=O)O[H])=C1[H]
Zagreb
138
37 Flag
37
Chi 3 C
1.96062
Chi 3 P
10.1365
Chi V 0
13.7111
Chi V 1
8.23199
Chi V 2
6.5213
C Count
16
Kappa 1
20.727
Kappa 2
8.56632
Kappa 3
3.93816
Mol Log P
-0.1416999999999999-2.317499999999998
N Count
0
O Count
10
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
83.468
Chi 3 Ch
0
Dipole X
4.91844
Dipole Y
2.15419
Dipole Z
-1.12589
Iac Mean
1.51565
In Ch Ikey
SLUWJPWHBUWROV-GTNGPMTGSA-NZJDOESGVOWAULF-OGJQONSISA-N
Is Chiral
0
Ob Score
19.5893488419.58934884;7.12329614330.96064530.9606450230.961
Suppress
0
Tcm Name
龙船花
Chi V 3 C
0.92643
Chi V 3 P
5.06365
Es Sum D O
11.373
Es Sum T N
0
E Adj Equ
378.974
E Adj Mag
521.319
Hba Count
4
Hbd Count
5
Iac Total
72.7514
Jurs Rasa
0.39389
Jurs Rncg
0.10731
Jurs Rncs
5.4502
Jurs Rpcg
0.20467
Jurs Rpcs
1.82903
Jurs Rpsa
0.6061
Jurs Sasa
538.363
Jurs Tasa
212.06
Jurs Tpsa
326.303
Num Atoms
26
Num Bonds
28
Num Rings
3
Shadow Xy
91.6742
Shadow Xz
51.603
Shadow Yz
43.1503
Shadow Nu
2.57142
Tcm Name2
LONG CHUAN HUA
V Adj Equ
278.585
V Adj Mag
325.212
Mol2 Path
/TCM_database/2007_3d_all/08277.mol2
Reference
2, 628, 658, 3954, 4524, 5508
Chi V 3 Ch
0
Dipole Mag
5.48627
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
57.798
Es Sum Ss O
16.262
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
19.5488
Kappa 2 Am
7.80432
Kappa 3 Am
3.50915
Num Hdonors
36
Num Chains
8
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
2.774
Es Sum Dss C
-0.557
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-214.718
Jurs Dpsa 3
132.123
Jurs Fnsa 1
0.69941
Jurs Fnsa 2
-2.56494
Jurs Fnsa 3
-0.21726
Jurs Fpsa 1
0.30058
Jurs Fpsa 2
0.42335
Jurs Fpsa 3
0.02816
Jurs Pnsa 1
376.541
Jurs Pnsa 2
-1380.86
Jurs Pnsa 3
-116.962
Jurs Ppsa 1
161.823
Jurs Ppsa 3
15.1608
Jurs Wnsa 1
202.716
Jurs Wnsa 2
-743.407
Jurs Wnsa 3
-62.9681
Jurs Wpsa 1
87.1193
Jurs Wpsa 3
8.162
Num Pi Bonds
0
Tcm Name En
Chinese Ixora
Level1 Name
2.清热药(64-64);4.利水渗湿药(27-27)
Level2 Name
3.清热解毒药(30-30);2.利水通淋药(11-11)
Admet Psa 2 D
168.984
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
6
Es Count Ss O
3
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.532
Es Sum Ss Nh2
0
Es Sum Sss Ch
-9.455
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
10
Num H Donors
6
Admet Alog P98
-2.291
Admet Ext Ppb
-18.8658
Drug Likeness
0.2880.554
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
2
Es Count Dss C
3
Es Count S Ch3
0
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
49
Num Fragments
1
Num Hydrogens
22
Num Ring Bonds
16
Organic Count
26
Rad Of Gyration
3.39405
Shadow Xyfrac
0.58224
Shadow Xzfrac
0.66096
Shadow Yzfrac
0.70471
Strain Energy
15.54
Es Count Ss Ch2
3
Es Count Ss Nh2
0
Es Count Sss Ch
8
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
374.121
Molecular Sasa
527.269
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
14.1689
Shadow Ylength
11.1124
Shadow Zlength
5.51011
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Admet Bbb Level
4
Isomeric Smiles
C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O)C(=O)O)COC1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
Molecular Savol
460.307
Molecule Weight
212.22374.38
Num Atom Classes
26
Num Bridge Bonds
0
Num H Acceptors
10
Num Repeat Units
0
Admet Ext Cyp2 D6
-3.19838
Admet Solubility
-0.282
Canonical Smiles
C1C=C(C2C1C(=COC2O)C(=O)O)COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
Herb Alias Names
27741-01-1CHEBI:5301DTXSID40182091(1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acidCyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acidCHEMBL460031
Minimized Energy
20.49
Molecular Weight
374.120
Molecular Volume
282.97
Molecular Weight
374.34
Molecule Formula
C16H22O10
Num Macro Chains
0
Molecular Formula
C16H22O10
Molecular Formula
C16H22O10
Molecular Formula
C10H12O5C16H22O10
Num Rotatable Bonds
25
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
26
Num Explicit Bonds
28
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
5
Molecular Polar Sasa
274.592
Num Bridge Head Atoms
0
Num Chain Assemblies
7
Num Meso Stereo Atoms
0
Molecular Solubility
-0.657
Admet Ext Hepatotoxic
-9.92003
Admet Unknown Alog P98
0
Molecular Surface Area
344.32
Num Explicit Hydrogens
0
Num H Donors Lipinski
6
Num Pseudo Stereo Atoms
0
Admet Absorption Level
3
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
10
Molecular Polar Surface Area
166.14
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.52
Admet Ext Ppb Applicability#Md
13.3205
Fda Maximum Daily Dose (Fdamdd)
0.036
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
14.8302
Admet Ext Ppb Applicability#Mdpvalue
0.001768
Molecular Fractional Polar Surface Area
0.482
Admet Ext Hepatotoxic Applicability#Md
12.5666
Admet Ext Cyp2 D6 Applicability#Mdpvalue
3e-06
Admet Ext Hepatotoxic Applicability#Mdpvalue
1.4e-05
Quantitative Estimate Of Drug Likeness（Qed）
0.288