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Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 12Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35367
- Core Entity Id
- 42500
- Source Entity Count
- 1
- Preferred Name
- Torachrysone
- Name En
- Pubchem Id
- 14345578
- Smiles Canonical
- CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
- Molecular Formula
- C14H14O4
- Molecular Weight
- 246.2620
- Inchikey
- BIJOPUWEMBBDEG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
- Isomeric Smiles
- CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OC
- Cas Id
- 64032-49-1
- Ob Score
- 15.5860
- Mol Logp
- 0.2437
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4390
- Polar Surface Area
- 66.7500
- Molecular Volume
- 194.8200
- Alogp
- 2.4640
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Torachrysone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Torachrysone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Torachrysone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Torachrysone-8-O-Beta-D-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Torachrysone-8-O-beta-D-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Torachrysone-8-O-beta-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Torachrysone-8-o-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Torachrysone-8-o-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
torachrysone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
羊蹄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Rumex nepalensis
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
YANG TI
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Nitroso-1-phenyl-Urea
Role
alias
Source
TCMBank
Preferred
No
Name
1-Nitroso-1-phenyl-Urea
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Nitroso-1-phenyl-Urea
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[1-Hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[1-Hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-naphthalen-2-yl]ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-[1-hydroxy-6-methoxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-naphthyl]ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
22649-04-3
Role
alias
Source
TCMBank
Preferred
No
Name
22649-04-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
22649-04-3
Role
alias
Source
HERB_v2
Preferred
No
Name
64032-49-1
Role
alias
Source
TCMBank
Preferred
No
Name
64TGU59DZ3
Role
alias
Source
itcmdb_public
Preferred
No
Name
64TGU59DZ3
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NT11I
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS032948833
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS032962455
Role
alias
Source
TCMBank
Preferred
No
Name
BG01228450
Role
alias
Source
TCMBank
Preferred
No
Name
BG01696230
Role
alias
Source
TCMBank
Preferred
No
Name
C17672
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:168095
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:168095
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:81265
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL109330
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL2204398
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8H6905
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-[8-(b-D-glucopyranosyloxy)-1-hydroxy-6-methoxy-3-methyl-2-naphthale nyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-005-944-957
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-028-599-891
Role
alias
Source
TCMBank
Preferred
No
Name
N-Nitroso-N-phenyl-Urea
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Nitroso-N-phenyl-Urea
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Nitroso-N-phenyl-Urea
Role
alias
Source
TCMBank
Preferred
No
Name
N-Phenyl-N-nitrosourea
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Phenyl-N-nitrosourea
Role
alias
Source
itcmdb_public
Preferred
No
Name
NP-007524
Role
alias
Source
TCMBank
Preferred
No
Name
Nakahalene
Role
alias
Source
TCMBank
Preferred
No
Name
Nakahalene
Role
alias
Source
HERB_v2
Preferred
No
Name
Nakahalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenyl-nitroso-harnstoff
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenyl-nitroso-harnstoff
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL932035
Role
alias
Source
TCMBank
Preferred
No
Name
Torachrysone
Role
alias
Source
TCMBank
Preferred
No
Name
Torachrysone 8-O-beta-D-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Torachrysone 8-O-beta-D-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Torachrysone 8-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
Torachrysone 8-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Torachrysone 8-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Torachrysone-8-O-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Torachrysone-8-O-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Torachrysone8-O-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
Trachrysone
Role
alias
Source
HERB_v2
Preferred
No
Name
Trachrysone
Role
alias
Source
itcmdb_public
Preferred
No
Name
W-203380
Role
alias
Source
TCMBank
Preferred
No
Name
W2031
Role
alias
Source
TCMBank
Preferred
No
Name
W2033
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC13307187
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC26977303
Role
alias
Source
TCMBank
Preferred
No
Name
torachrysone-8-o-beta-d-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
torachrysone-8-o-β-d-glucoside
Role
alias
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
1.凉血止血药(8-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-cooling hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Torachrysone-8-O-Beta-D-Glucoside羊蹄Rumex nepalensisYANG TI1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone1-Nitroso-1-phenyl-Urea1-[1-Hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-naphthalen-2-yl]ethanone1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone1-[1-hydroxy-6-methoxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-naphthyl]ethanone2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene22649-04-364032-49-164TGU59DZ3AC1NT11IAKOS032948833AKOS032962455BG01228450BG01696230C17672CHEBI:168095CHEBI:81265CHEMBL109330CHEMBL2204398CTK8H6905Ethanone, 1-[8-(b-D-glucopyranosyloxy)-1-hydroxy-6-methoxy-3-methyl-2-naphthale nyl]-Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-MolPort-005-944-957MolPort-028-599-891N-Nitroso-N-phenyl-UreaN-Phenyl-N-nitrosoureaNP-007524NakahalenePhenyl-nitroso-harnstoffSCHEMBL932035Torachrysone 8-O-beta-D-glucosideTorachrysone 8-glucosideTorachrysone-8-O-beta-D-glucopyranosideTorachrysone8-O-glucosideTrachrysoneW-203380W2031W2033ZINC13307187ZINC26977303torachrysone-8-o-β-d-glucoside7.止血药(25-26)hemostatic medicinal1.凉血止血药(8-9)blood-cooling hemostatic medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
64032-49-1
Herb
HBIN046555HBIN046560
Npass
NPC94076
Tcmid
214362143728288
Tcmsp
MOL002055MOL013295
Sym Map
SMIT01648SMIT04367SMIT13965SMIT17957SMIT19048
Tcm Id
456
Pub Chem
143455785321977
Tcmbank
TCMBANKIN025225TCMBANKIN037770
Etcm Ingredient
Torachrysone-8-O-beta-D-glucoside
Itcmdb Generated
ITX-INGREDIENT-1D0C71EE14DA
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.61436
Jx
2.82893
Jy
2.93194
Bic
0.77355
Cic
0.55555
Phi
3.1709
Sic
0.86677
Log D
2.462
Sc 0
18
Sc 1
19
Sc 2
28
Alog P
2.464
Chi 0
13.4472
Chi 1
8.45159
Chi 2
7.95386
In Ch I
InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3
Mol Wt
246.262408.4030000000001
Pmi X
88.7119
Energy
35.34
Sc 3 C
8
Sc 3 P
38
Smiles
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OCc1(C([H])([H])[H])c([H])c(c([H])c(OC([H])([H])[H])c([H])c2O[H])c2c(O[H])c1C(=O)C([H])([H])[H]
Zagreb
94
37 Flag
37
Chi 3 C
1.5902
Chi 3 P
6.43559
Chi V 0
10.443
Chi V 1
5.49576
Chi V 2
4.21789
C Count
14
Kappa 1
14.41
Kappa 2
5.55102
Kappa 3
2.65927
Mol Log P
0.2437199999999992.770620000000001
N Count
0
O Count
4
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
67.803
Chi 3 Ch
0
Dipole X
1.29183
Dipole Y
-1.92851
Dipole Z
-0.00043
Iac Mean
1.41856
In Ch Ikey
BIJOPUWEMBBDEG-UHFFFAOYSA-NGHKWPHRULCFTBB-UHFFFAOYSA-N
Is Chiral
0
Ob Score
15.58615.58619115.5861912251.06460772
Suppress
1
Tcm Name
羊蹄
Admet Bbb
-0.466
Chi V 3 C
0.64322
Chi V 3 P
2.94927
Es Sum D O
11.498
Es Sum T N
0
E Adj Equ
224.729
E Adj Mag
325.212
Hba Count
2
Hbd Count
2
Iac Total
45.3941
Jurs Rasa
0.70973
Jurs Rncg
0.23612
Jurs Rncs
9.10791
Jurs Rpcg
0.2934
Jurs Rpcs
2.33854
Jurs Rpsa
0.29026
Jurs Sasa
409.73
Jurs Tasa
290.798
Jurs Tpsa
118.932
Num Atoms
18
Num Bonds
19
Num Rings
2
Shadow Xy
71.1777
Shadow Xz
34.4177
Shadow Yz
24.2294
Shadow Nu
3.61139
Tcm Name2
Rumex nepalensis
V Adj Equ
168.967
V Adj Mag
199.421
Mol2 Path
/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/羊蹄/Rumex nepalensis/Structure/torachrysone.mol2
Chi V 3 Ch
0
Dipole Mag
2.32119
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
20.033
Es Sum Ss O
5.051
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
12.7003
Kappa 2 Am
4.49408
Kappa 3 Am
2.04752
Num Hdonors
25
Num Chains
6
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
4.848
Es Sum Aa Nh
0
Es Sum Aaa C
0.901
Es Sum Aas C
1.11
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-0.235
Es Sum S Ch3
4.623
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-202.017
Jurs Dpsa 3
50.6865
Jurs Fnsa 1
0.74652
Jurs Fnsa 2
-1.13841
Jurs Fnsa 3
-0.10831
Jurs Fpsa 1
0.25347
Jurs Fpsa 2
0.14014
Jurs Fpsa 3
0.01539
Jurs Pnsa 1
305.874
Jurs Pnsa 2
-466.437
Jurs Pnsa 3
-44.3775
Jurs Ppsa 1
103.856
Jurs Ppsa 3
6.30894
Jurs Wnsa 1
125.325
Jurs Wnsa 2
-191.113
Jurs Wnsa 3
-18.1828
Jurs Wpsa 1
42.553
Jurs Wpsa 3
2.58496
Num Pi Bonds
0
Tcm Name En
YANG TI
Level1 Name
7.止血药(25-26)
Level2 Name
1.凉血止血药(8-9)
Admet Psa 2 D
67.861
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
2
Es Count Ss O
1
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
4
Num H Donors
2
Admet Alog P98
2.464
Admet Ext Ppb
0.340814
Drug Likeness
0.4390.799
Es Count Aa Ch
3
Es Count Aa Nh
0
Es Count Aaa C
2
Es Count Aas C
5
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
1
Es Count S Ch3
3
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
14
Num Ring Bonds
11
Organic Count
18
Rad Of Gyration
2.47686
Shadow Xyfrac
0.64874
Shadow Xzfrac
0.82437
Shadow Yzfrac
0.79753
Strain Energy
31.62
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
246.089
Molecular Sasa
423.104
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
12.2791
Shadow Ylength
8.93517
Shadow Zlength
3.4001
Level1 Name En
hemostatic medicinal
Level2 Name En
blood-cooling hemostatic medicinal
Admet Bbb Level
2
Isomeric Smiles
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OCCC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
Molecular Savol
373.859
Molecule Weight
246.28408.44
Num Atom Classes
18
Num Bridge Bonds
0
Num H Acceptors
4
Num Repeat Units
0
Admet Ext Cyp2 D6
-2.18636
Admet Solubility
-2.948
Canonical Smiles
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OCCC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
Herb Alias Names
22649-04-3Nakahalene1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone64TGU59DZ3NakahaleneTrachrysoneN-Phenyl-N-nitrosoureaPhenyl-nitroso-harnstoffN-Nitroso-N-phenyl-Urea1-Nitroso-1-phenyl-Urea
Minimized Energy
3.72
Molecular Weight
408.140
Molecular Volume
194.82
Molecular Weight
246.259408.4
Molecule Formula
C14H14O4
Num Macro Chains
0
Molecular Formula
C20H24O9
Molecular Formula
C14H14O4C20H24O9
Molecular Formula
C14H14O4C20H24O9
Num Rotatable Bonds
25
Num Aromatic Bonds
11
Num Aromatic Rings
2
Num Explicit Atoms
18
Num Explicit Bonds
19
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
13965.01648.0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
2
Molecular Polar Sasa
120.524
Num Bridge Head Atoms
0
Num Chain Assemblies
5
Num Meso Stereo Atoms
0
Molecular Solubility
-2.849
Admet Ext Hepatotoxic
3.75554
Admet Unknown Alog P98
0
Molecular Surface Area
259.68
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
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
66.75
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.284
Admet Ext Ppb Applicability#Md
12.1055
Fda Maximum Daily Dose (Fdamdd)
0.025
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
14.0461
Admet Ext Ppb Applicability#Mdpvalue
0.074367
Molecular Fractional Polar Surface Area
0.257
Admet Ext Hepatotoxic Applicability#Md
13.111
Admet Ext Cyp2 D6 Applicability#Mdpvalue
2.3e-05
Admet Ext Hepatotoxic Applicability#Mdpvalue
1e-06
Quantitative Estimate Of Drug Likeness（Qed）
0.439