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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Dehydropipernonaline
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
66.689
4.245
339.428
0
3
6
3
1
0.108

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
66.689
Non-Mutagen
All properties and OPS components are within expected ranges.
0.0112623
0.0201699
-24.6377

ADMET

Energy
66.689
Solubility
-4.666
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
0.549
EXT_CYP2D6
1
Prediction
-8.21231
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
12.457
Hepatotoxic
0.00107256
Hepatotoxic Prediction
-6.98952
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
11.2425
Absorption_Level
0.00278607
EXT_PPB
0
EXT_PPB Prediction
5.6931
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.8938
ADMET_AlogP98
0.00801289
ADMET_PSA_2D
4.245
ADMET_BBB
38.513

Ligand Efficency

Energy
Energy/LEHA
66.689
2.66756

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