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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Cuscohygrine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
26.4498
1.383
224.342
0
3
4
2
0
0.089

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
26.4498
Non-Mutagen
All properties and OPS components are within expected ranges.
0.523662
0.937837
-6.96641

ADMET

Energy
26.4498
Solubility
-2.3
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-0.106
EXT_CYP2D6
2
Prediction
1.67457
Applicability
1
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
10.5491
Hepatotoxic
0.0492879
Hepatotoxic Prediction
-7.79352
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.12836
Absorption_Level
0.849174
EXT_PPB
0
EXT_PPB Prediction
-2.26145
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.97403
ADMET_AlogP98
0.910546
ADMET_PSA_2D
1.384
ADMET_BBB
24.005

Ligand Efficency

Energy
Energy/LEHA
26.4498
1.65311

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