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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Laudanidine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
105.568
3.62
343.417
1
5
5
3
2
0.136

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
105.568
Non-Mutagen
All properties and OPS components are within expected ranges.
0.42937
0.768968
-9.0629

ADMET

Energy
105.568
Solubility
-4.424
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
1
Prediction
-5.27099
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.2227
Hepatotoxic
0.0145118
Hepatotoxic Prediction
1.8124
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
9.1236
Absorption_Level
0.395671
EXT_PPB
0
EXT_PPB Prediction
-5.45442
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.18315
ADMET_AlogP98
0.99298
ADMET_PSA_2D
3.62
ADMET_BBB
50.958

Ligand Efficency

Energy
Energy/LEHA
105.568
4.22272

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