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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Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
105.445
2.436
370.396
0
6
4
5
2
0.157

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
105.445
Non-Mutagen
All properties and OPS components are within expected ranges.
0.485763
0.869963
-7.83449

ADMET

Energy
105.445
Solubility
-4.132
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
-0.249
EXT_CYP2D6
2
Prediction
-0.291887
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
14.6516
Hepatotoxic
5.02817E-6
Hepatotoxic Prediction
-0.592255
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
9.59639
Absorption_Level
0.19703
EXT_PPB
0
EXT_PPB Prediction
4.33608
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.03787
ADMET_AlogP98
0.996159
ADMET_PSA_2D
2.436
ADMET_BBB
53.58

Ligand Efficency

Energy
Energy/LEHA
105.445
3.90537

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