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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( )-Sesamin

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
78.8824
2.237
354.353
0
6
2
6
2
0.18

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
78.8824
Non-Mutagen
All properties and OPS components are within expected ranges.
0.535598
0.959214
-6.6829

ADMET

Energy
78.8824
Solubility
-4.296
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
-0.311
EXT_CYP2D6
2
Prediction
-0.200572
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
13.7374
Hepatotoxic
5.08433E-5
Hepatotoxic Prediction
-0.787141
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
10.9982
Absorption_Level
0.0062335
EXT_PPB
0
EXT_PPB Prediction
2.65826
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
10.0454
ADMET_AlogP98
0.893613
ADMET_PSA_2D
2.236
ADMET_BBB
53.58

Ligand Efficency

Energy
Energy/LEHA
78.8824
3.03394

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