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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Stigmasterol
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
92.483
7.639
412.691
1
1
5
4
0
0.042

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
92.483
Non-Mutagen
All properties and OPS components are within expected ranges.
3.14737E-11
5.63669E-11
-61.7909

ADMET

Energy
92.483
Solubility
-7.963
Solubility_Level
1
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-0.414484
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.8701
Hepatotoxic
0.00389313
Hepatotoxic Prediction
-10.3066
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.9183
Absorption_Level
0.498477
EXT_PPB
3
EXT_PPB Prediction
8.00959
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
8.43767
ADMET_AlogP98
0.999807
ADMET_PSA_2D
7.639
ADMET_BBB
20.815

Ligand Efficency

Energy
Energy/LEHA
92.483
3.08277

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