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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(-)-beta-Sitosterol
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
109.249
8.084
414.707
1
1
6
4
0
0.042

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
109.249
Non-Mutagen
All properties and OPS components are within expected ranges.
0
0
-84.3742

ADMET

Energy
109.249
Solubility
-8.256
Solubility_Level
0
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-2.82595
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.7955
Hepatotoxic
0.00455895
Hepatotoxic Prediction
-8.25473
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.97989
Absorption_Level
0.467163
EXT_PPB
3
EXT_PPB Prediction
8.59399
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.16249
ADMET_AlogP98
0.993539
ADMET_PSA_2D
8.084
ADMET_BBB
20.815

Ligand Efficency

Energy
Energy/LEHA
109.249
3.64163

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