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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Cucurbitacin K 2-O-beta-D-glucopyranoside
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
214.286
-0.714
694.806
8
13
8
5
0
0.317

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
214.286
Non-Mutagen
All properties and OPS components are within expected ranges.
0.0110617
0.0198106
-24.6905

ADMET

Energy
214.286
Solubility
-3.115
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-8.62846
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
15.2666
Hepatotoxic
1.01775E-6
Hepatotoxic Prediction
-10.0149
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
12.2444
Absorption_Level
5.80429E-5
EXT_PPB
3
EXT_PPB Prediction
-18.9574
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.7146
ADMET_AlogP98
0.0141893
ADMET_PSA_2D
-0.714
ADMET_BBB
236.286

Ligand Efficency

Energy
Energy/LEHA
214.286
4.37318

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