Relationship Network
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Herb: 2Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18554
- Core Entity Id
- 23800
- Source Entity Count
- 1
- Preferred Name
- Erythro-beta-hydroxy-l-aspartic acid
- Name En
- Pubchem Id
- 14463
- Smiles Canonical
- N[C@@H](C(=O)O)[C@H](O)C(=O)O
- Molecular Formula
- C4H7NO5
- Molecular Weight
- 149.1020
- Inchikey
- YYLQUHNPNCGKJQ-NHYDCYSISA-N
- Inchi
- InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
- Isomeric Smiles
- [C@H]([C@H](C(=O)O)O)(C(=O)O)N
- Cas Id
- Ob Score
- Mol Logp
- -2.1562
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3630
- Polar Surface Area
- 120.8500
- Molecular Volume
- 105.6400
- Alogp
- -4.4320
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erythro-Beta-Hydroxy-L-Aspartic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Erythro-Beta-Hydroxy-L-Aspartic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Erythro-beta-hydroxy-L-aspartic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erythro-beta-hydroxy-l-aspartic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erythro-beta-hydroxy-l-aspartic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erythro--beta-Hydroxy-L-aspartic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
紫云英子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI YUN YING ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese MiIkvetch Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxy-succinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxybutanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxysuccinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxysuccinic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S,3R)-2-amino-3-hydroxysuccinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2s,3r)-3-hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2s,3r)-3-hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-Hydroxyaspartate
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-Hydroxyaspartate
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3R)-3-Hydroxyaspartate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R)-3-Hydroxyaspartate
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-Hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-Hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3R)-3-hydroxy-L-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3R)-3-hydroxy-L-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-hydroxy-L-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R)-3-hydroxy-L-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1186-90-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
1186-90-9
Role
alias
Source
TCMBank
Preferred
No
Name
1186-90-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
1186-90-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2742-55-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
2742-55-4
Role
alias
Source
TCMBank
Preferred
No
Name
3-Hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-Hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
6532-76-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6532-76-9
Role
alias
Source
TCMBank
Preferred
No
Name
6532-76-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6532-76-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
7298-98-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
7298-98-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7298-98-8
Role
alias
Source
TCMBank
Preferred
No
Name
7298-98-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L23VS
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L23VS
Role
alias
Source
TCMBank
Preferred
No
Name
AK401616
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK401616
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006274477
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006274477
Role
alias
Source
SymMap_v2
Preferred
No
Name
ASPARTIC ACID, 3-HYDROXY-, (erythro)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
ASPARTIC ACID, 3-HYDROXY-, (erythro)-
Role
alias
Source
TCMBank
Preferred
No
Name
Aspartic acid, L-threo-beta-hydroxy-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Aspartic acid, L-threo-beta-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50055467
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM50055467
Role
alias
Source
TCMBank
Preferred
No
Name
C03961
Role
alias
Source
TCMBank
Preferred
No
Name
C03961
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:17576
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:17576
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL3317781
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL3317781
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK4B0789
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK4B0789
Role
alias
Source
TCMBank
Preferred
No
Name
D-Aspartic acid,3-hydroxy-, (3S)-rel-
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-Aspartic acid,3-hydroxy-, (3S)-rel-
Role
alias
Source
TCMBank
Preferred
No
Name
DB03640
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB03640
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 229-431-4
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 229-431-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
Erythro-b-hydroxy-l-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Erythro-b-hydroxy-l-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
Erythro-beta-hydroxy-L-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
Erythro-beta-hydroxy-L-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0690419
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0690419
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-50557
Role
alias
Source
TCMBank
Preferred
No
Name
KB-50557
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Aspartic acid, 3-hydroxy-, (3R)-
Role
alias
Source
TCMBank
Preferred
No
Name
L-Aspartic acid, 3-hydroxy-, (3R)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-erythro-beta-hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-erythro-beta-hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-22114
Role
alias
Source
TCMBank
Preferred
No
Name
LS-22114
Role
alias
Source
SymMap_v2
Preferred
No
Name
SC-10299
Role
alias
Source
TCMBank
Preferred
No
Name
SC-10299
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL336362
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL336362
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-GDV0MSK2SG component YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-GDV0MSK2SG component YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-VI4F0K069V component YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-VI4F0K069V component YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
TCMBank
Preferred
No
Name
YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
TCMBank
Preferred
No
Name
YYLQUHNPNCGKJQ-NHYDCYSISA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC901877
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC901877
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Hydroxy-L-aspartic acid, erythro-
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-Hydroxy-L-aspartic acid, erythro-
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-3-Hydroxy-DL-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-3-Hydroxy-DL-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-3-Hydroxy-DL-aspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
erythro-3-Hydroxy-DL-aspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
erythro-3-Hydroxy-L-aspartate
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-3-Hydroxy-L-aspartate
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-3-Hydroxy-L-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-3-Hydroxy-L-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-3-Hydroxy-Ls-aspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-3-Hydroxy-Ls-aspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-3-hydroxy-Ls-aspartate
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-3-hydroxy-Ls-aspartate
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-beta-Hydroxyaspartic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
erythro-beta-Hydroxyaspartic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
erythro-beta-Hydroxyaspartic acid
Role
alias
Source
TCMBank
Preferred
No
Name
erythro-beta-Hydroxyaspartic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
erythro-β-hydroxy-l-asparticacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
erythro--beta-Hydroxy-L-aspartic acid紫云英子ZI YUN YING ZIChinese MiIkvetch Seed(2S,3R)-2-amino-3-hydroxy-succinic acid(2S,3R)-2-amino-3-hydroxybutanedioic acid(2S,3R)-2-amino-3-hydroxysuccinic acid(2s,3r)-3-hydroxyaspartic acid(3R)-3-Hydroxyaspartate(3R)-3-Hydroxyaspartic acid(3R)-3-hydroxy-L-aspartic acid1186-90-92742-55-43-Hydroxyaspartic acid6532-76-97298-98-8AC1L23VSAK401616AKOS006274477ASPARTIC ACID, 3-HYDROXY-, (erythro)-Aspartic acid, L-threo-beta-hydroxy-BDBM50055467C03961CHEBI:17576CHEMBL3317781CTK4B0789D-Aspartic acid,3-hydroxy-, (3S)-rel-DB03640EINECS 229-431-4Erythro-b-hydroxy-l-aspartic acidFT-0690419KB-50557L-Aspartic acid, 3-hydroxy-, (3R)-L-erythro-beta-hydroxyaspartic acidLS-22114SC-10299SCHEMBL336362UNII-GDV0MSK2SG component YYLQUHNPNCGKJQ-NHYDCYSISA-NUNII-VI4F0K069V component YYLQUHNPNCGKJQ-NHYDCYSISA-NYYLQUHNPNCGKJQ-NHYDCYSISA-NZINC901877beta-Hydroxy-L-aspartic acid, erythro-beta-Hydroxyaspartic aciderythro-3-Hydroxy-DL-aspartic aciderythro-3-Hydroxy-L-aspartateerythro-3-Hydroxy-L-aspartic aciderythro-3-Hydroxy-Ls-aspartic aciderythro-3-hydroxy-Ls-aspartateerythro-beta-Hydroxyaspartic aciderythro-β-hydroxy-l-asparticacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025709
Npass
NPC43169
Tcmid
257679803
Sym Map
SMIT18964
Pub Chem
14463
Tcmbank
TCMBANKIN047379
Etcm Ingredient
erythro--beta-Hydroxy-L-aspartic acid
Itcmdb Generated
ITX-INGREDIENT-C41D39625DD5
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.32192
Jx
3.78959
Jy
4.15961
Bic
0.67118
Cic
1
Phi
3.09714
Sic
0.69896
Log D
-5.835
Sc 0
10
Sc 1
9
Sc 2
12
Type
Other ingredients
Alog P
-4.432
Chi 0
8.3094
Chi 1
4.4641
Chi 2
4.20626
In Ch I
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
Mol Wt
149.102
Pmi X
29.6349
Energy
5.67
Sc 3 C
4
Sc 3 P
12
Smiles
O([H])C(=O)[C@@]([H])(O[H])[C@@]([H])(N([H])[H])C(=O)O[H]
Zagreb
42
Chi 3 C
1.05156
Chi 3 P
2.93247
Chi V 0
4.89018
Chi V 1
2.35767
Chi V 2
1.64709
Kappa 1
10
Kappa 2
4
Kappa 3
3.11111
Mol Log P
-2.1562
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
22.328
Chi 3 Ch
0
Dipole X
-0.1726
Dipole Y
-0.20328
Dipole Z
-0.14911
Iac Mean
1.77798
In Ch Ikey
YYLQUHNPNCGKJQ-NHYDCYSISA-N
Is Chiral
0
Suppress
0
Tcm Name
紫云英子
Chi V 3 C
0.27616
Chi V 3 P
0.87833
Es Sum D O
19.748
Es Sum T N
0
E Adj Equ
71.014
E Adj Mag
110.039
Hba Count
2
Hbd Count
2
Iac Total
30.2257
Jurs Rasa
0.06952
Jurs Rncg
0.20174
Jurs Rncs
7.04677
Jurs Rpcg
0.33695
Jurs Rpcs
2.60427
Jurs Rpsa
0.93047
Jurs Sasa
281.403
Jurs Tasa
19.5636
Jurs Tpsa
261.839
Num Atoms
10
Num Bonds
9
Num Rings
0
Shadow Xy
39.4934
Shadow Xz
26.6696
Shadow Yz
19.1879
Shadow Nu
2.33123
Tcm Name2
ZI YUN YING ZI
V Adj Equ
68.0077
V Adj Mag
75.0586
Mol2 Path
/TCM_database/2003_3d_all/2876.mol2
Reference
6
Chi V 3 Ch
0
Dipole Mag
0.30551
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
24.52
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.18
Kappa 2 Am
3.37379
Kappa 3 Am
2.5489
Num Hdonors
4
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
2
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
-3.19
Es Sum S Ch3
0
Es Sum S Nh2
4.73
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-210.394
Jurs Dpsa 3
84.8337
Jurs Fnsa 1
0.87383
Jurs Fnsa 2
-1.64782
Jurs Fnsa 3
-0.27533
Jurs Fpsa 1
0.12616
Jurs Fpsa 2
0.10837
Jurs Fpsa 3
0.02614
Jurs Pnsa 1
245.898
Jurs Pnsa 2
-463.701
Jurs Pnsa 3
-77.4758
Jurs Ppsa 1
35.5044
Jurs Ppsa 3
7.35788
Jurs Wnsa 1
69.1965
Jurs Wnsa 2
-130.487
Jurs Wnsa 3
-21.8019
Jurs Wpsa 1
9.99102
Jurs Wpsa 3
2.07052
Num Pi Bonds
0
Tcm Name En
Chinese MiIkvetch Seed
Admet Psa 2 D
123.588
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
3
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
-3.811
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
6
Num H Donors
4
Admet Alog P98
-1.954
Admet Ext Ppb
-8.42629
Drug Likeness
0.363
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
2
Es Count S Ch3
0
Es Count S Nh2
1
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
7
Num Ring Bonds
0
Organic Count
10
Rad Of Gyration
1.92724
Shadow Xyfrac
0.65415
Shadow Xzfrac
0.74239
Shadow Yzfrac
0.7409
Strain Energy
4.31
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
2
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
149.032
Molecular Sasa
284.19
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
9.15134
Shadow Ylength
6.59724
Shadow Zlength
3.92553
Admet Bbb Level
4
Isomeric Smiles
[C@H]([C@H](C(=O)O)O)(C(=O)O)N
Molecular Savol
251.062
Num Atom Classes
10
Num Bridge Bonds
0
Num H Acceptors
6
Num Repeat Units
0
Admet Ext Cyp2 D6
-6.43594
Admet Solubility
1.177
Canonical Smiles
C(C(C(=O)O)O)(C(=O)O)N
Herb Alias Names
(3R)-3-hydroxy-L-aspartic acid7298-98-8(2S,3R)-2-amino-3-hydroxybutanedioic acid6532-76-9erythro-beta-Hydroxyaspartic aciderythro-3-Hydroxy-DL-aspartic acid(2S,3R)-2-amino-3-hydroxysuccinic acid(3R)-3-Hydroxyaspartate1186-90-9
Minimized Energy
1.36
Molecular Weight
149.030
Molecular Volume
105.64
Molecular Weight
149.102
Num Macro Chains
0
Molecular Formula
C4H7NO5
Molecular Formula
C4H7NO5
Molecular Formula
C4H7NO5
Num Rotatable Bonds
3
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
10
Num Explicit Bonds
9
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
3
Molecular Polar Sasa
229.366
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-0.764
Admet Ext Hepatotoxic
-8.73628
Admet Unknown Alog P98
0
Molecular Surface Area
152.55
Num Explicit Hydrogens
0
Num H Donors Lipinski
5
Num Pseudo Stereo Atoms
0
Admet Absorption Level
2
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
6
Molecular Polar Surface Area
120.85
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.807
Admet Ext Ppb Applicability#Md
12.7771
Fda Maximum Daily Dose (Fdamdd)
0.003
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
17.4829
Admet Ext Ppb Applicability#Mdpvalue
0.011673
Molecular Fractional Polar Surface Area
0.792
Admet Ext Hepatotoxic Applicability#Md
6.58175
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.9994
Quantitative Estimate Of Drug Likeness（Qed）
0.255