Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2125
- Core Entity Id
- 5551
- Source Entity Count
- 1
- Preferred Name
- 2-methyltetrahydro-beta-carboline
- Name En
- Pubchem Id
- 121896
- Smiles Canonical
- CN1CCC2=C(C1)NC3=CC=CC=C23
- Molecular Formula
- C12H14N2
- Molecular Weight
- 186.2580
- Inchikey
- JOFKCNJIUXPJAC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
- Isomeric Smiles
- CN1CCC2=C(C1)NC3=CC=CC=C23
- Cas Id
- Ob Score
- Mol Logp
- 2.1558
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6680
- Polar Surface Area
- 15.2700
- Molecular Volume
- 159.8300
- Alogp
- 1.7880
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-1,2,3,4-Tetrahydro-Beta-Carboline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-1,2,3,4-Tetrahydro-Beta-Carboline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-1,2,3,4-tetrahydro--beta-carboline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methyl-1,2,3,4-tetrahydro-beta-carboline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-1,2,3,4-tetrahydro-beta-carboline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-1,2,3,4-tetrahydro-beta-carboline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyltetrahydro-beta-carboline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyltetrahydro-beta-carboline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyltetrahydro-beta-carboline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2,3,4-Tetrahydro-2-methyl-b-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
1,2,3,4-Tetrahydro-2-methyl-b-carboline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,4-Tetrahydro-2-methyl-b-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,2,3,4-Tetrahydro-2-methyl-b-carboline
Role
alias
Source
HERB_v2
Preferred
No
Name
13100-00-0
Role
alias
Source
HERB_v2
Preferred
No
Name
13100-00-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
13100-00-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
13100-00-0
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
Role
alias
Source
SymMap_v2
Preferred
No
Name
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,4,9-Tetrahydro-2-methyl-1H-Pyrido[3,4-b]indole
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,3,4,9-Tetrahydro-2-methyl-1H-Pyrido[3,4-b]indole
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9CI
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9CI
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
TCMBank
Preferred
No
Name
2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-METHYL-1H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-METHYL-1H,3H,4H,9H-PYRIDO[3,4-B]INDOLE
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Methyltetrahydro-b-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Methyltetrahydro-b-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyl-1,2,3,4-tetrahydro-
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyl-1,2,3,4-tetrahydro-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-methyl-1,2,3,4-tetrahydro-β-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyltryptoline
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyltryptoline
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-methyltryptoline
Role
alias
Source
TCMBank
Preferred
No
Name
2-methyltryptoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
A-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
A-carboline
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L3TLP
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L3TLP
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q1IT4
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q1IT4
Role
alias
Source
TCMBank
Preferred
No
Name
AK321839
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK321839
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006320934
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS006320934
Role
alias
Source
TCMBank
Preferred
No
Name
Alkaloid GPZ-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alkaloid GPZ-2
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50018545
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM50018545
Role
alias
Source
TCMBank
Preferred
No
Name
BG01507673
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01507673
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL69618
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL69618
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL69618
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL69618
Role
alias
Source
itcmdb_public
Preferred
No
Name
CTK4B7028
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK4B7028
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40156838
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID40156838
Role
alias
Source
TCMBank
Preferred
No
Name
F1905-8574
Role
alias
Source
SymMap_v2
Preferred
No
Name
F1905-8574
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2268E23
Role
alias
Source
SymMap_v2
Preferred
No
Name
HMS2268E23
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H
Role
alias
Source
SymMap_v2
Preferred
No
Name
InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H
Role
alias
Source
TCMBank
Preferred
No
Name
JOFKCNJIUXPJAC-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
JOFKCNJIUXPJAC-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-2318549673
Role
alias
Source
SymMap_v2
Preferred
No
Name
MCULE-2318549673
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001049128
Role
alias
Source
SymMap_v2
Preferred
No
Name
MLS001049128
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-002-523-502
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-002-523-502
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00246229-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00246229-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_029908
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCI60_029908
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-683435
Role
alias
Source
TCMBank
Preferred
No
Name
NSC683435
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC683435
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC683435
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_539196
Role
alias
Source
SymMap_v2
Preferred
No
Name
Oprea1_539196
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL1055807
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL1055807
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000386955
Role
alias
Source
SymMap_v2
Preferred
No
Name
SMR000386955
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-48784
Role
alias
Source
SymMap_v2
Preferred
No
Name
STOCK1N-48784
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1649427
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC1649427
Role
alias
Source
TCMBank
Preferred
No
Name
n-methyltetrahydro-beta-carboline
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-methyltetrahydro-beta-carboline
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methyl-1,2,3,4-Tetrahydro-Beta-Carboline2-Methyl-1,2,3,4-tetrahydro--beta-carboline1,2,3,4-Tetrahydro-2-methyl-b-carboline13100-00-01H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-2,3,4,9-Tetrahydro-2-methyl-1H-Pyrido[3,4-b]indole2,3,4,9-Tetrahydro-2-methyl-1H-pyrido[3,4-b]indole, 9CI2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE2-METHYL-1H,3H,4H,9H-PYRIDO[3,4-B]INDOLE2-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline2-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole2-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indole2-Methyltetrahydro-b-carboline2-methyl-1,2,3,4-tetrahydro-2-methyl-1,2,3,4-tetrahydro-β-carboline2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole2-methyltryptolineA-carbolineAC1L3TLPAC1Q1IT4AK321839AKOS006320934Alkaloid GPZ-2BDBM50018545BG01507673CHEMBL69618CTK4B7028DTXSID40156838F1905-8574HMS2268E23InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1HJOFKCNJIUXPJAC-UHFFFAOYSA-NMCULE-2318549673MLS001049128MolPort-002-523-502NCGC00246229-01NCI60_029908NSC-683435NSC683435Oprea1_539196SCHEMBL1055807SMR000386955STOCK1N-48784ZINC1649427n-methyltetrahydro-beta-carboline
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005934HBIN005935HBIN006097
Npass
NPC198988
Tcmid
1473931679
Sym Map
SMIT19379
Tcm Id
213339935
Pub Chem
121896
Tcmbank
TCMBANKIN002176TCMBANKIN028073TCMBANKIN040524
Etcm Ingredient
2-Methyl-1,2,3,4-tetrahydro--beta-carboline2-Methyl-1,2,3,4-tetrahydro-beta-carboline
Itcmdb Generated
ITX-INGREDIENT-BD53B03962EAITX-INGREDIENT-EA2F2AA41241
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.37878
Jx
1.90506
Jy
1.95314
Bic
0.79539
Cic
0.42857
Phi
1.77273
Sic
0.88743
Log D
0.277
Sc 0
14
Sc 1
16
Sc 2
23
Type
Other ingredients
Alog P
1.788
Chi 0
9.5436
Chi 1
6.84333
Chi 2
6.28625
In Ch I
InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
Mol Wt
186.258
Pmi X
31.6151
Energy
48.08
Sc 3 C
5
Sc 3 P
32
Smiles
CN1CCC2=C(C1)NC3=CC=CC=C23
Zagreb
78
Chi 3 C
0.89417
Chi 3 P
5.42672
Chi V 0
8.53263
Chi V 1
5.3842
Chi V 2
4.49549
Kappa 1
9.24218
Kappa 2
3.53875
Kappa 3
1.54687
Mol Log P
2.1558
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
59.99
Chi 3 Ch
0
Dipole X
-0.31171
Dipole Y
-0.12051
Dipole Z
0.09143
Iac Mean
1.2729
In Ch Ikey
JOFKCNJIUXPJAC-UHFFFAOYSA-N
Is Chiral
0
Suppress
0
Admet Bbb
0.143
Chi V 3 C
0.61481
Chi V 3 P
3.51705
Es Sum D O
0
Es Sum T N
0
E Adj Equ
173.925
E Adj Mag
254.084
Hba Count
0
Hbd Count
1
Iac Total
38.1872
Jurs Rasa
0.91514
Jurs Rncg
0.34493
Jurs Rncs
2.33872
Jurs Rpcg
0.46029
Jurs Rpcs
6.44803
Jurs Rpsa
0.08485
Jurs Sasa
342.832
Jurs Tasa
313.743
Jurs Tpsa
29.0895
Num Atoms
14
Num Bonds
16
Num Rings
3
Shadow Xy
50.823
Shadow Xz
40.3482
Shadow Yz
21.8698
Shadow Nu
2.31761
V Adj Equ
125.845
V Adj Mag
160
Mol2 Path
/TCM_database/2003_3d_all/5858.mol2
Reference
6
Chi V 3 Ch
0
Dipole Mag
0.34647
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
0
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
8.30165
Kappa 2 Am
2.98955
Kappa 3 Am
1.25363
Num Hdonors
1
Num Chains
1
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
8.75
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
2.892
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
2.209
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
3.625
Es Sum Sss N
2.416
Jurs Dpsa 1
-230.281
Jurs Dpsa 3
18.5908
Jurs Fnsa 1
0.83585
Jurs Fnsa 2
-0.73827
Jurs Fnsa 3
-0.05151
Jurs Fpsa 1
0.16414
Jurs Fpsa 2
0.01106
Jurs Fpsa 3
0.00272
Jurs Pnsa 1
286.556
Jurs Pnsa 2
-253.099
Jurs Pnsa 3
-17.6566
Jurs Ppsa 1
56.2756
Jurs Ppsa 3
0.93422
Jurs Wnsa 1
98.2407
Jurs Wnsa 2
-86.7706
Jurs Wnsa 3
-6.05324
Jurs Wpsa 1
19.2931
Jurs Wpsa 3
0.32028
Num Pi Bonds
0
Admet Psa 2 D
16.162
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
0
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
3.71
Es Sum Ss Nh2
0
Es Sum Sss Ch
1.396
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
1.788
Admet Ext Ppb
-0.39525
Drug Likeness
0.668
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
2
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
1
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
1
Es Count Sss N
1
Es Sum Sssss P
0
Num Hacceptors
1
Num Fragments
1
Num Hydrogens
16
Num Ring Bonds
15
Organic Count
14
Rad Of Gyration
2.20253
Shadow Xyfrac
0.71066
Shadow Xzfrac
0.70827
Shadow Yzfrac
0.70875
Strain Energy
20.85
Es Count Ss Ch2
3
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
188.131
Molecular Sasa
372.158
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.4903
Shadow Ylength
6.22389
Shadow Zlength
4.95781
Admet Bbb Level
1
Isomeric Smiles
CN1CCC2=C(C1)NC3=CC=CC=C23
Molecular Savol
322.642
Num Atom Classes
14
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-0.917528
Admet Solubility
-2.948
Canonical Smiles
CN1CCC2=C(C1)NC3=CC=CC=C23
Minimized Energy
27.23
Molecular Weight
186.120188.130
Molecular Volume
159.83
Molecular Weight
0186.25 g/mol
Num Macro Chains
0
Molecular Formula
C12H14N2C12H16N2
Molecular Formula
C12H14N2
Molecular Formula
C12H14N2
Num Rotatable Bonds
0
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
14
Num Explicit Bonds
16
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
0
Molecular Polar Sasa
26.8638
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-1.736
Admet Ext Hepatotoxic
-5.77316
Admet Unknown Alog P98
0
Molecular Surface Area
195.21
Num Explicit Hydrogens
0
Num H Donors Lipinski
1
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
15.27
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.072
Admet Ext Ppb Applicability#Md
8.83055
Fda Maximum Daily Dose (Fdamdd)
0.6690.909
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
8.44327
Admet Ext Ppb Applicability#Mdpvalue
0.9985
Molecular Fractional Polar Surface Area
0.078
Admet Ext Hepatotoxic Applicability#Md
8.07893
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.609495
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.864253
Quantitative Estimate Of Drug Likeness（Qed）
0.6680.669