INDIAN MEDICINAL PHYTOCHEMICAL DATABASE
Developed Under an Indian Council of Medical Research Funded Project
(Govt. Of India, Sanction No:BIC/12(31)/2013)
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Yamogenin
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
103.611
4.633
414.621
1
3
0
6
0
0.091

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
103.611
Non-Mutagen
All properties and OPS components are within expected ranges.
0
0
-87.7708

ADMET

Energy
103.611
Solubility
-6.491
Solubility_Level
1
Unknown_AlogP98
0
BBB_Level
0.666
EXT_CYP2D6
1
Prediction
-3.45355
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
12.6514
Hepatotoxic
0.000687899
Hepatotoxic Prediction
-8.4586
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
10.0989
Absorption_Level
0.0723739
EXT_PPB
0
EXT_PPB Prediction
5.11047
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.54399
ADMET_AlogP98
0.973993
ADMET_PSA_2D
4.633
ADMET_BBB
38.675

Ligand Efficency

Energy
Energy/LEHA
103.611
3.4537

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