Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 11Reference: 1Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25508
- Core Entity Id
- 31547
- Source Entity Count
- 1
- Preferred Name
- Mal
- Name En
- Pubchem Id
- 10991489
- Smiles Canonical
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
- Molecular Formula
- C12H22O11
- Molecular Weight
- 342.2970
- Inchikey
- GUBGYTABKSRVRQ-ASMJPISFSA-N
- Inchi
- InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
- Cas Id
- 73824-72-3
- Ob Score
- 1.7990
- Mol Logp
- -5.3972
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2430
- Polar Surface Area
- 189.5200
- Molecular Volume
- 258.9600
- Alogp
- -4.2610
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Maltose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
MAL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Maltose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Maltose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Maltose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Starch
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Starch
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
maltose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-methylol-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
1,5]1+1,2+4
Role
alias
Source
TCMBank
Preferred
No
Name
1,5]1+1,2+4
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5][22122h
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5][22122h
Role
alias
Source
TCMBank
Preferred
No
Name
133-99-3
Role
alias
Source
HERB_v2
Preferred
No
Name
133-99-3
Role
alias
Source
TCMBank
Preferred
No
Name
133-99-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
15SUG9AD26
Role
alias
Source
HERB_v2
Preferred
No
Name
15SUG9AD26
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(alpha-D-Glucopyranosido)-alpha-glucopyranose
Role
alias
Source
TCMBank
Preferred
No
Name
4-(alpha-D-Glucosido)-D-glucose
Role
alias
Source
TCMBank
Preferred
No
Name
4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose
Role
alias
Source
TCMBank
Preferred
No
Name
4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
4482-75-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4482-75-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5-17-07-00189 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
69-79-4
Role
alias
Source
HERB_v2
Preferred
No
Name
69-79-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
73824-72-3
Role
alias
Source
TCMBank
Preferred
No
Name
77072-48-1
Role
alias
Source
TCMBank
Preferred
No
Name
9005-84-9
Role
alias
Source
HERB_v2
Preferred
No
Name
9005-84-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-09089
Role
alias
Source
TCMBank
Preferred
No
Name
Advanctose 100
Role
alias
Source
TCMBank
Preferred
No
Name
Advantose 100
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0093798
Role
alias
Source
TCMBank
Preferred
No
Name
C01971
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18147
Role
alias
Source
TCMBank
Preferred
No
Name
Cextromaltose
Role
alias
Source
TCMBank
Preferred
No
Name
Cextromaltose
Role
alias
Source
HERB_v2
Preferred
No
Name
Cextromaltose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-(+)-Maltose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glucose, 4-O-alpha-D-glucopyranosyl-
Role
alias
Source
TCMBank
Preferred
No
Name
D-Glucose, 4-O-alpha-D-glucopyranosyl- (6CI,9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
D-Maltose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Maltose
Role
alias
Source
TCMBank
Preferred
No
Name
D4E2CF9C-C3A1-4AC1-A51E-A51162B6056D
Role
alias
Source
TCMBank
Preferred
No
Name
D4E2CF9C-C3A1-4AC1-A51E-A51162B6056D
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 200-716-5
Role
alias
Source
TCMBank
Preferred
No
Name
Finetose
Role
alias
Source
TCMBank
Preferred
No
Name
Finetose
Role
alias
Source
HERB_v2
Preferred
No
Name
Finetose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Finetose F
Role
alias
Source
TCMBank
Preferred
No
Name
Glcalpha1-4Glca
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glcalpha1-4Glca
Role
alias
Source
HERB_v2
Preferred
No
Name
Glcalpha1-4Glcalpha
Role
alias
Source
HERB_v2
Preferred
No
Name
Glcalpha1-4Glcalpha
Role
alias
Source
itcmdb_public
Preferred
No
Name
Maltobiose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Maltobiose
Role
alias
Source
HERB_v2
Preferred
No
Name
Maltodiose
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose HH
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose HHH
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose [JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose, pure
Role
alias
Source
TCMBank
Preferred
No
Name
Maltose-b
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL9688735
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL9688735
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sunmalt
Role
alias
Source
TCMBank
Preferred
No
Name
Sunmalt S
Role
alias
Source
TCMBank
Preferred
No
Name
Thyodene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thyodene
Role
alias
Source
HERB_v2
Preferred
No
Name
WURCS=1.0/2,1/[X2122h
Role
alias
Source
SymMap_v2
Preferred
No
Name
WURCS=1.0/2,1/[X2122h
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC04095762
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-D-Glcp-(1->4)-beta-D-Glcp
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-D-Glucopyranose, 4-o-alpha-D-glucopyranosyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-D-Glucopyranose, 4-o-alpha-D-glucopyranosyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Maltose
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Maltose
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-
Role
alias
Source
TCMBank
Preferred
No
Name
beta-maltose
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-maltose
Role
alias
Source
HERB_v2
Preferred
No
Name
maltose
Role
alias
Source
HERB_v2
Preferred
No
Name
maltose
Role
alias
Source
SymMap_v2
Preferred
No
Name
maltose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
MaltoseStarch人参REN SHENGinseng(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol(2R,3S,4S,5R,6R)-2-methylol-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol1,5]1+1,2+41,5][22122h133-99-315SUG9AD264-(alpha-D-Glucopyranosido)-alpha-glucopyranose4-(alpha-D-Glucosido)-D-glucose4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose4482-75-15-17-07-00189 (Beilstein Handbook Reference)69-79-473824-72-377072-48-19005-84-9AI3-09089Advanctose 100Advantose 100BRN 0093798C01971CHEBI:18147CextromaltoseD-(+)-MaltoseD-Glucose, 4-O-alpha-D-glucopyranosyl-D-Glucose, 4-O-alpha-D-glucopyranosyl- (6CI,9CI)D-MaltoseD4E2CF9C-C3A1-4AC1-A51E-A51162B6056DEINECS 200-716-5FinetoseFinetose FGlcalpha1-4GlcaGlcalpha1-4GlcalphaMaltobioseMaltodioseMaltose (8CI)Maltose HHMaltose HHHMaltose [JAN]Maltose, pureMaltose-bSCHEMBL9688735SunmaltSunmalt SThyodeneWURCS=1.0/2,1/[X2122hZINC04095762alpha-D-Glcp-(1->4)-beta-D-Glcpalpha-D-Glucopyranose, 4-o-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosealpha-Maltosebeta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-beta-maltose
Cross References
Trusted external identifiers retained for this final record.
Cas
73824-72-3
Hit
C0574C0693
Herb
HBIN034303HBIN034356HBIN044721
Npass
NPC246558NPC81340
Tcmid
134473148933025
Tcmsp
MOL005365
Sym Map
SMIT07138SMIT16421SMIT19324
Pub Chem
109914891190838512302673131632347294439186439341451098076255
Tcmbank
TCMBANKIN000977TCMBANKIN003571TCMBANKIN053816
Itcmdb Generated
ITX-INGREDIENT-10AFBAA8E11C
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.75707
Jx
1.96796
Jy
2.16276
Bic
0.60132
Cic
1.76648
Phi
6.26766
Sic
0.60949
Log D
-4.261
Sc 0
23
Sc 1
24
Sc 2
35
Type
Other ingredients
Alog P
-4.261
Chi 0
17.309
Chi 1
10.811
Chi 2
9.74056
In Ch I
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
Mol Wt
342.297
Pmi X
181.869
Cas Id
73824-72-3
Energy
49.08
Sc 3 C
10
Sc 3 P
48
Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O[C@@]1([H])(C([H])([H])O[H])O[C@]([H])(O[C@]2([H])[C@@]([H])(C([H])([H])O[H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Zagreb
118
Chi 3 C
1.83403
Chi 3 P
9.05728
Chi V 0
11.9902
Chi V 1
7.07902
Chi V 2
5.52683
Kappa 1
19.3264
Kappa 2
7.92
Kappa 3
3.81944
Mol Log P
-5.397199999999994
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
68.336
Chi 3 Ch
0
Dipole X
-0.79787
Dipole Y
0.91207
Dipole Z
-0.02099
Iac Mean
1.51005
In Ch Ikey
GUBGYTABKSRVRQ-ASMJPISFSA-NGUBGYTABKSRVRQ-QUYVBRFLSA-N
Is Chiral
0
Ob Score
1.7991.7993181.799318313
Suppress
0
Tcm Name
人参
Chi V 3 C
0.81776
Chi V 3 P
3.97897
Es Sum D O
0
Es Sum T N
0
E Adj Equ
307.432
E Adj Mag
429.05
Hba Count
3
Hbd Count
7
Iac Total
67.9526
Jurs Rasa
0.27212
Jurs Rncg
0.09577
Jurs Rncs
3.81757
Jurs Rpcg
0.12773
Jurs Rpcs
0.40107
Jurs Rpsa
0.72787
Jurs Sasa
481.061
Jurs Tasa
130.907
Jurs Tpsa
350.154
Num Atoms
23
Num Bonds
24
Num Rings
2
Shadow Xy
81.5577
Shadow Xz
46.5598
Shadow Yz
34.7941
Shadow Nu
2.5346
Tcm Name2
REN SHEN
V Adj Equ
232.192
V Adj Mag
268.078
Mol2 Path
/TCM_database/2003_3d_all/5166.mol2
Reference
2
Chi V 3 Ch
0
Dipole Mag
1.21198
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
76.486
Es Sum Ss O
15.262
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
18.8924
Kappa 2 Am
7.6304
Kappa 3 Am
3.64672
Num Hdonors
8
Num Chains
9
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
0
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
0
Es Sum Dss C
0
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
-219.246
Jurs Dpsa 3
147.483
Jurs Fnsa 1
0.72787
Jurs Fnsa 2
-2.99052
Jurs Fnsa 3
-0.27761
Jurs Fpsa 1
0.27212
Jurs Fpsa 2
0.39796
Jurs Fpsa 3
0.02897
Jurs Pnsa 1
350.154
Jurs Pnsa 2
-1438.62
Jurs Pnsa 3
-133.543
Jurs Ppsa 1
130.907
Jurs Ppsa 3
13.94
Jurs Wnsa 1
168.445
Jurs Wnsa 2
-692.063
Jurs Wnsa 3
-64.2421
Jurs Wpsa 1
62.9743
Jurs Wpsa 3
6.70599
Num Pi Bonds
0
Tcm Name En
Ginseng
Admet Psa 2 D
193.314
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
8
Es Count Ss O
3
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-1.345
Es Sum Ss Nh2
0
Es Sum Sss Ch
-15.571
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
11
Num H Donors
8
Admet Alog P98
-4.261
Admet Ext Ppb
-27.8802
Drug Likeness
0.243
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
0
Es Count Dss C
0
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
11
Num Fragments
1
Num Hydrogens
22
Num Ring Bonds
12
Organic Count
23
Rad Of Gyration
2.80665
Shadow Xyfrac
0.66025
Shadow Xzfrac
0.6994
Shadow Yzfrac
0.71394
Strain Energy
21.16
Es Count Ss Ch2
2
Es Count Ss Nh2
0
Es Count Sss Ch
10
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
342.116
Molecular Sasa
480.11
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
12.9896
Shadow Ylength
9.50949
Shadow Zlength
5.12489
Admet Bbb Level
4
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)OC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
Molecular Savol
415.595
Molecule Weight
342.34
Num Atom Classes
23
Num Bridge Bonds
0
Num H Acceptors
11
Num Repeat Units
0
Admet Ext Cyp2 D6
-3.75929
Admet Solubility
0.687
Canonical Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
Herb Alias Names
maltosebeta-maltose69-79-4133-99-3D-MaltoseMaltobioseD-(+)-Maltose4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoseCextromaltoseFinetose
Minimized Energy
27.92
Molecular Volume
258.96
Molecular Weight
342.296342.3342.3 g/mol
Num Macro Chains
0
Molecular Formula
C12H22O11
Molecular Formula
C12H22O11
Num Rotatable Bonds
4
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
23
Num Explicit Bonds
24
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
4
Molecular Polar Sasa
318.756
Num Bridge Head Atoms
0
Num Chain Assemblies
9
Num Meso Stereo Atoms
0
Molecular Solubility
0.76
Admet Ext Hepatotoxic
-16.4504
Admet Unknown Alog P98
0
Molecular Surface Area
318.4
Num Explicit Hydrogens
0
Num H Donors Lipinski
8
Num Pseudo Stereo Atoms
0
Admet Absorption Level
3
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
11
Molecular Polar Surface Area
189.52
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.663
Admet Ext Ppb Applicability#Md
9.11418
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
14.0643
Admet Ext Ppb Applicability#Mdpvalue
0.994698
Molecular Fractional Polar Surface Area
0.595
Admet Ext Hepatotoxic Applicability#Md
6.13183
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.000023
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999958