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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Laudanosine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
115.341
3.846
357.443
0
5
6
3
2
0.1

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
115.341
Non-Mutagen
All properties and OPS components are within expected ranges.
0.429603
0.769385
-9.05793

ADMET

Energy
115.341
Solubility
-4.886
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
1
Prediction
-4.8072
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.3892
Hepatotoxic
0.0104697
Hepatotoxic Prediction
0.654631
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.08301
Absorption_Level
0.863046
EXT_PPB
0
EXT_PPB Prediction
-1.38335
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
7.71166
ADMET_AlogP98
0.999998
ADMET_PSA_2D
3.846
ADMET_BBB
39.072

Ligand Efficency

Energy
Energy/LEHA
115.341
4.43619

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