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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Laurotetanine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
103.954
2.772
327.374
2
5
3
4
2
0.182

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
103.954
Mutagen
All properties and OPS components are within expected ranges.
0.73979
1.32491
0.0429077

ADMET

Energy
103.954
Solubility
-4.335
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
-0.253
EXT_CYP2D6
2
Prediction
-4.91848
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
10.4603
Hepatotoxic
0.0571634
Hepatotoxic Prediction
2.00332
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
9.97519
Absorption_Level
0.0949483
EXT_PPB
0
EXT_PPB Prediction
-3.09998
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.83828
ADMET_AlogP98
0.937205
ADMET_PSA_2D
2.773
ADMET_BBB
60.416

Ligand Efficency

Energy
Energy/LEHA
103.954
4.33142

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