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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Crotonoside
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
25.0106
7.305
284.477
1
2
16
0
0
0.105

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
27.5375
Non-Mutagen
All properties and OPS components are within expected ranges.
2.86369E-6
5.12864E-6
-43.4879

ADMET

Energy
25.0106
Solubility
-5.288
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-1.29016
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
13.6897
Hepatotoxic
5.72157E-5
Hepatotoxic Prediction
-23.3726
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
6.431
Absorption_Level
0.999738
EXT_PPB
3
EXT_PPB Prediction
3.42964
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
10.3965
ADMET_AlogP98
0.778916
ADMET_PSA_2D
7.305
ADMET_BBB
38.116

Ligand Efficency

Energy
Energy/LEHA
25.0106
1.25053

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