Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Trial: 5Herb: 12Ingredient: 1Reference: 1Target: 12Links: 30
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19271
- Core Entity Id
- 24599
- Source Entity Count
- 1
- Preferred Name
- Fmt
- Name En
- Pubchem Id
- 15538257
- Smiles Canonical
- C(=O)O
- Molecular Formula
- C10H12FNO3
- Molecular Weight
- 213.2080
- Inchikey
- BDAGIHXWWSANSR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12FNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/t10-/m0/s1
- Isomeric Smiles
- C(=O)O
- Cas Id
- 15907-03-6
- Ob Score
- 33.2550
- Mol Logp
- -0.2992
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3800
- Polar Surface Area
- 37.2900
- Molecular Volume
- 33.6100
- Alogp
- -0.2840
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Saturated Fatty Acids
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2(R)-(3,4-Dimethoxy-Phenyl)-Propanel,3-Diol-L-O-Β-D-Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
FMT
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fmt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fmt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fmt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Formic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Formic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Formic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Formic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Formic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Saturated Fatty Acids
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Saturated fatty acids
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Saturated fatty acids
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
百部;荨麻;宽叶香蒲 ;白果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI BU;QIAN MA;KUAN YE XIANG PU;BAI GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tuber Stemona;Hempleaf Nettle;Broadleaf Cattail Pollen;Ginkgo Nut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
06450_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
06460_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
06473_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
09676_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
1270110-75-2
Role
alias
Source
HERB_v2
Preferred
No
Name
1270110-75-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
15907-03-6
Role
alias
Source
TCMBank
Preferred
No
Name
251364_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
27001_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
3-Fluoro-alpha-methyl-L-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Fluoro-alpha-methyl-L-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
33015_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
399388_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
49897_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
56302_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
64-18-6
Role
alias
Source
HERB_v2
Preferred
No
Name
64-18-6
Role
alias
Source
TCMBank
Preferred
No
Name
64-18-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
7056-83-9
Role
alias
Source
TCMBank
Preferred
No
Name
8006-93-7
Role
alias
Source
TCMBank
Preferred
No
Name
82069-14-5
Role
alias
Source
TCMBank
Preferred
No
Name
94318_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-24237
Role
alias
Source
TCMBank
Preferred
No
Name
Acide formique [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Acido formico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Add-F
Role
alias
Source
TCMBank
Preferred
No
Name
Ameisensaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Ameisensaeure [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Ameisensaure
Role
alias
Source
TCMBank
Preferred
No
Name
Aminic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminic acid
Role
alias
Source
TCMBank
Preferred
No
Name
BI3A0TJ5AX
Role
alias
Source
HERB_v2
Preferred
No
Name
BI3A0TJ5AX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bilorin
Role
alias
Source
TCMBank
Preferred
No
Name
Bilorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bilorin
Role
alias
Source
HERB_v2
Preferred
No
Name
C00058
Role
alias
Source
TCMBank
Preferred
No
Name
C1 acid
Role
alias
Source
TCMBank
Preferred
No
Name
CARBOXY GROUP
Role
alias
Source
TCMBank
Preferred
No
Name
CBX
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6039
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30751
Role
alias
Source
TCMBank
Preferred
No
Name
Collo-bueglatt
Role
alias
Source
TCMBank
Preferred
No
Name
Collo-didax
Role
alias
Source
TCMBank
Preferred
No
Name
Dioxirane-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-579-1
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 214900
Role
alias
Source
TCMBank
Preferred
No
Name
F0507_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
FAMT
Role
alias
Source
itcmdb_public
Preferred
No
Name
FAMT
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 2487
Role
alias
Source
TCMBank
Preferred
No
Name
FMT
Role
alias
Source
TCMBank
Preferred
No
Name
Formate standard for IC
Role
alias
Source
TCMBank
Preferred
No
Name
Formic acid (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
Formic acid [UN1779] [Corrosive]
Role
alias
Source
TCMBank
Preferred
No
Name
Formic acid solution
Role
alias
Source
TCMBank
Preferred
No
Name
Formira
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formira
Role
alias
Source
HERB_v2
Preferred
No
Name
Formira
Role
alias
Source
TCMBank
Preferred
No
Name
Formisoton
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formisoton
Role
alias
Source
HERB_v2
Preferred
No
Name
Formisoton
Role
alias
Source
TCMBank
Preferred
No
Name
Formylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Formylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
HCOOH
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 1646
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrogen carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrogen carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrogen carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/CH2O2/c2-1-3/h1H,(H,2,3
Role
alias
Source
TCMBank
Preferred
No
Name
Kwas metaniowy [Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina mravenci [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
L-Tyrosine, 3-fluoro-alpha-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Tyrosine, 3-fluoro-alpha-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01010040
Role
alias
Source
TCMBank
Preferred
No
Name
LS-1540
Role
alias
Source
TCMBank
Preferred
No
Name
Methanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Methanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Methanoic acid monomer
Role
alias
Source
TCMBank
Preferred
No
Name
Mierenzuur [Dutch]
Role
alias
Source
TCMBank
Preferred
No
Name
Myrmicyl
Role
alias
Source
TCMBank
Preferred
No
Name
Myrmicyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Myrmicyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
RCRA waste no. U123
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U123
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL6337566
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6337566
Role
alias
Source
HERB_v2
Preferred
No
Name
ST5214364
Role
alias
Source
TCMBank
Preferred
No
Name
Spirit of formic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Sybest
Role
alias
Source
TCMBank
Preferred
No
Name
UN1779
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-BI3A0TJ5AX
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-BI3A0TJ5AX
Role
alias
Source
HERB_v2
Preferred
No
Name
W248703_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
Wonderbond Hardener M 600L
Role
alias
Source
TCMBank
Preferred
No
Name
fatty acids
Role
alias
Source
TCMBank
Preferred
No
Name
formic acid
Role
alias
Source
TCMBank
Preferred
No
Name
formic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
formic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
methanol peroxide
Role
alias
Source
TCMBank
Preferred
No
Name
methoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
saturated fatty acids
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Saturated Fatty Acids2(R)-(3,4-Dimethoxy-Phenyl)-Propanel,3-Diol-L-O-Β-D-GlucopyranosideFormic Acid百部;荨麻;宽叶香蒲 ;白果BAI BU;QIAN MA;KUAN YE XIANG PU;BAI GUOTuber Stemona;Hempleaf Nettle;Broadleaf Cattail Pollen;Ginkgo Nut(S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)-2-methylpropanoic acid06450_FLUKA06460_FLUKA06473_FLUKA09676_FLUKA1270110-75-215907-03-6251364_SIAL27001_RIEDEL3-Fluoro-alpha-methyl-L-tyrosine33015_RIEDEL399388_SIAL49897_FLUKA56302_FLUKA64-18-67056-83-98006-93-782069-14-594318_FLUKAAI3-24237Acide formique [French]Acido formico [Italian]Add-FAmeisensaeureAmeisensaeure [German]AmeisensaureAminic acidBI3A0TJ5AXBilorinC00058C1 acidCARBOXY GROUPCBXCCRIS 6039CHEBI:30751Collo-bueglattCollo-didaxDioxirane-3-olEINECS 200-579-1EPA Pesticide Chemical Code 214900F0507_SIALFAMTFEMA No. 2487Formate standard for ICFormic acid (natural)Formic acid [UN1779] [Corrosive]Formic acid solutionFormiraFormisotonFormylic acidHCOOHHSDB 1646Hydrogen carboxylic acidInChI=1/CH2O2/c2-1-3/h1H,(H,2,3Kwas metaniowy [Polish]Kyselina mravenci [Czech]L-Tyrosine, 3-fluoro-alpha-methyl-LMFA01010040LS-1540Methanoic acidMethanoic acid monomerMierenzuur [Dutch]MyrmicylRCRA waste no. U123RCRA waste number U123SCHEMBL6337566ST5214364Spirit of formic acidSybestUN1779UNII-BI3A0TJ5AXW248703_ALDRICHWonderbond Hardener M 600Lfatty acidsmethanol peroxidemethoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
15907-03-664-18-6
Herb
HBIN006388HBIN026401HBIN026609HBIN026659HBIN043214
Npass
NPC237332
Tcmid
240322496124987424547881
Tcmsp
MOL001859
Sym Map
SMIT01986SMIT02664SMIT04212SMIT20451SMIT26666
Tcm Id
12214328
Pub Chem
15538257284
Tcmbank
TCMBANKIN051077TCMBANKIN057919
Etcm Ingredient
FMTFormic acid
Itcmdb Generated
ITX-INGREDIENT-1684068A1D50ITX-INGREDIENT-181C6EC13BD7ITX-INGREDIENT-515EA1F4B202ITX-INGREDIENT-7C99C3912C59ITX-INGREDIENT-86FD10DFC303ITX-INGREDIENT-B9F927D1FEC1
Attributes
Merged source attributes and domain-specific metadata.
Ic
1.58496
Jx
1.92048
Jy
2.27457
Bic
1
Cic
-1e-05
Phi
1.42896
Sic
1
Log D
-0.284
Sc 0
3
Sc 1
2
Sc 2
1
Type
Other ingredients
Alog P
-0.284
Chi 0
2.7071
Chi 1
1.41421
Chi 2
0.7071
In Ch I
InChI=1S/C10H12FNO3/c1-10(12,9(14)15)5-6-2-3-8(13)7(11)4-6/h2-4,13H,5,12H2,1H3,(H,14,15)/t10-/m0/s1InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
Mol Wt
213.20846.02500000000001
Pmi X
0.71252
Cas Id
15907-03-6
Energy
1.58
Sc 3 C
0
Sc 3 P
0
Smiles
C(=O)O[H]C(=O)O[H]
Zagreb
6
Chi 3 C
0
Chi 3 P
0
Chi V 0
1.43281
Chi V 1
0.4939
Chi V 2
0.1054
Kappa 1
3
Kappa 2
2
Kappa 3
0
Mol Log P
-0.29920.8757999999999999
Sc 3 Ch
0
Version
v1,v2v2
Alog P Mr
8.571
Chi 3 Ch
0
Dipole X
-0.338
Dipole Y
-1.10064
Dipole Z
-0.00026
Iac Mean
1.52192
In Ch Ikey
BDAGIHXWWSANSR-UHFFFAOYSA-NSTUMEFJLAPRRME-JTQLQIEISA-N
Is Chiral
0
Ob Score
33.25533.25523333.25523338
Suppress
01
Tcm Name
百部;荨麻;宽叶香蒲 ;白果
Admet Bbb
-0.845
Chi V 3 C
0
Chi V 3 P
0
Es Sum D O
8.361
Es Sum T N
0
E Adj Equ
4
E Adj Mag
2
Hba Count
1
Hbd Count
1
Iac Total
7.60964
Jurs Rasa
0
Jurs Rncg
0.55257
Jurs Rncs
31.3792
Jurs Rpcg
1
Jurs Rpcs
44.6823
Jurs Rpsa
1
Jurs Sasa
156.757
Jurs Tasa
0
Jurs Tpsa
156.757
Num Atoms
3
Num Bonds
2
Num Rings
0
Shadow Xy
13.976
Shadow Xz
13.0186
Shadow Yz
9.10874
Shadow Nu
1.56377
Tcm Name2
BAI BU;QIAN MA;KUAN YE XIANG PU;BAI GUO
V Adj Equ
8.91968
V Adj Mag
8
Mol2 Path
/TCM_database/2003_3d_all/3115.mol2
Reference
2, 658, 660
Chi V 3 Ch
0
Dipole Mag
1.15136
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
6.888
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
2.63
Kappa 2 Am
1.63
Kappa 3 Am
0
Num Hdonors
13
Num Chains
1
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
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
-0.25
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
-67.3925
Jurs Dpsa 3
44.901
Jurs Fnsa 1
0.71495
Jurs Fnsa 2
-0.43246
Jurs Fnsa 3
-0.21654
Jurs Fpsa 1
0.28504
Jurs Fpsa 2
0.0699
Jurs Fpsa 3
0.0699
Jurs Pnsa 1
112.075
Jurs Pnsa 2
-67.7905
Jurs Pnsa 3
-33.943
Jurs Ppsa 1
44.6823
Jurs Ppsa 3
10.9581
Jurs Wnsa 1
17.5685
Jurs Wnsa 2
-10.6267
Jurs Wnsa 3
-5.32081
Jurs Wpsa 1
7.00428
Jurs Wpsa 3
1.71775
Num Pi Bonds
0
Tcm Name En
Tuber Stemona;Hempleaf Nettle;Broadleaf Cattail Pollen;Ginkgo Nut
Admet Psa 2 D
38.116
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
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
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
2
Num H Donors
1
Admet Alog P98
-0.284
Admet Ext Ppb
-4.72282
Drug Likeness
0.380.695
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
1
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
13
Num Fragments
1
Num Hydrogens
2
Num Ring Bonds
0
Organic Count
3
Rad Of Gyration
0.79787
Shadow Xyfrac
0.67592
Shadow Xzfrac
0.72016
Shadow Yzfrac
0.68888
Strain Energy
1.58
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
46.0055
Molecular Sasa
186.294
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
5.31683
Shadow Ylength
3.88893
Shadow Zlength
3.4
Admet Bbb Level
3
Isomeric Smiles
C(=O)OC[C@](CC1=CC(=C(C=C1)O)F)(C(=O)O)N
Molecular Savol
166.232
Molecule Weight
46.024846.03
Num Atom Classes
3
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-4.40406
Admet Solubility
0.669
Canonical Smiles
C(=O)OCC(CC1=CC(=C(C=C1)O)F)(C(=O)O)N
Herb Alias Names
FAMT3-Fluoro-alpha-methyl-L-tyrosineBI3A0TJ5AXUNII-BI3A0TJ5AX1270110-75-2(S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)-2-methylpropanoic acidL-Tyrosine, 3-fluoro-alpha-methyl-SCHEMBL63375663-fluoro-alpha-methyl l-tyrosine
Minimized Energy
0
Molecular Weight
46.010
Molecular Volume
33.61
Molecular Weight
46.025 g/mol;46.0346.0254
Molecule Formula
CH2O2
Num Macro Chains
0
Molecular Formula
CH2O2
Molecular Formula
CH2O2HCOOH or CH2O2
Molecular Formula
C10H12FNO3CH2O2
Num Rotatable Bonds
03
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
3
Num Explicit Bonds
2
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
1986.0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
0
Molecular Polar Sasa
78.9921
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
0.564
Admet Ext Hepatotoxic
-2.71608
Admet Unknown Alog P98
0
Molecular Surface Area
56.02
Num Explicit Hydrogens
0
Num H Donors Lipinski
1
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
37.29
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.424
Admet Ext Ppb Applicability#Md
8.83145
Fda Maximum Daily Dose (Fdamdd)
0.0150.019
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
14.9502
Admet Ext Ppb Applicability#Mdpvalue
0.998493
Molecular Fractional Polar Surface Area
0.665
Admet Ext Hepatotoxic Applicability#Md
6.41151
Admet Ext Cyp2 D6 Applicability#Mdpvalue
2e-06
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999766
Quantitative Estimate Of Drug Likeness（Qed）
0.3070.380