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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Bryoamaride
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
213.181
0.118
678.807
7
12
8
5
0
0.293

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
213.181
Non-Mutagen
All properties and OPS components are within expected ranges.
0.00654602
0.0117234
-26.1907

ADMET

Energy
213.181
Solubility
-3.037
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-8.62846
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
13.8233
Hepatotoxic
4.10613E-5
Hepatotoxic Prediction
-10.3471
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
12.1083
Absorption_Level
0.000103323
EXT_PPB
3
EXT_PPB Prediction
-18.6835
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.8231
ADMET_AlogP98
0.010084
ADMET_PSA_2D
0.118
ADMET_BBB
215.471

Ligand Efficency

Energy
Energy/LEHA
213.181
4.44127

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