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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Colocynthoside A
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
248.702
-0.425
734.827
7
14
9
5
0
0.308

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
248.702
Non-Mutagen
All properties and OPS components are within expected ranges.
0.0095879
0.0171712
-25.1068

ADMET

Energy
248.702
Solubility
-2.98
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-10.993
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
14.299
Hepatotoxic
1.23981E-5
Hepatotoxic Prediction
-12.3562
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
12.0144
Absorption_Level
0.000152437
EXT_PPB
3
EXT_PPB Prediction
-21.0388
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
13.564
ADMET_AlogP98
0.000679879
ADMET_PSA_2D
-0.425
ADMET_BBB
241.701

Ligand Efficency

Energy
Energy/LEHA
248.702
4.78273

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