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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Hyoscyamine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
64.1663
1.721
289.369
1
4
5
3
1
0.167

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
64.1663
Non-Mutagen
All properties and OPS components are within expected ranges.
0.000327624
0.000586749
-33.7166

ADMET

Energy
64.1663
Solubility
-2.52
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-0.42
EXT_CYP2D6
2
Prediction
-4.04876
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
9.56797
Hepatotoxic
0.209549
Hepatotoxic Prediction
-20.7674
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.29128
Absorption_Level
0.792337
EXT_PPB
0
EXT_PPB Prediction
-23.3936
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.57561
ADMET_AlogP98
0.971186
ADMET_PSA_2D
1.721
ADMET_BBB
50.398

Ligand Efficency

Energy
Energy/LEHA
64.1663
3.05554

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