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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Piperine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
56.2813
2.864
285.338
0
3
3
3
1
0.132

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
56.2813
Non-Mutagen
All properties and OPS components are within expected ranges.
6.01672E-6
1.07755E-5
-42.0783

ADMET

Energy
56.2813
Solubility
-3.853
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.122
EXT_CYP2D6
1
Prediction
-6.62793
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
12.1576
Hepatotoxic
0.00209185
Hepatotoxic Prediction
-4.51305
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
10.3269
Absorption_Level
0.0420496
EXT_PPB
0
EXT_PPB Prediction
4.96323
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.114
ADMET_AlogP98
0.0728819
ADMET_PSA_2D
2.864
ADMET_BBB
38.513

Ligand Efficency

Energy
Energy/LEHA
56.2813
2.68006

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