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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Hyoscine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
122.222
0.823
303.353
1
5
5
4
1
0.213

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
122.222
Non-Mutagen
All properties and OPS components are within expected ranges.
1.18853E-5
2.12856E-5
-40.7515

ADMET

Energy
122.222
Solubility
-2.075
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-0.838
EXT_CYP2D6
3
Prediction
-4.6549
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
9.98163
Hepatotoxic
0.120086
Hepatotoxic Prediction
-13.7974
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.5352
Absorption_Level
0.688691
EXT_PPB
0
EXT_PPB Prediction
-19.706
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.68037
ADMET_AlogP98
0.960081
ADMET_PSA_2D
0.823
ADMET_BBB
59.328

Ligand Efficency

Energy
Energy/LEHA
122.222
5.55555

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