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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Eugenol
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
33.6499
2.579
164.201
1
2
3
1
1
0.156

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
33.6499
Non-Mutagen
All properties and OPS components are within expected ranges.
0.311144
0.557234
-11.5679

ADMET

Energy
33.6499
Solubility
-2.416
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.172
EXT_CYP2D6
1
Prediction
-1.12707
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.9251
Hepatotoxic
0.00346251
Hepatotoxic Prediction
-7.30885
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.85047
Absorption_Level
0.533111
EXT_PPB
0
EXT_PPB Prediction
-3.60557
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.6324
ADMET_AlogP98
0.965528
ADMET_PSA_2D
2.579
ADMET_BBB
29.745

Ligand Efficency

Energy
Energy/LEHA
33.6499
2.80416

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