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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Dihydroresveratrol
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
47.4789
3.534
230.259
3
3
3
2
2
0.259

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
47.4789
Non-Mutagen
All properties and OPS components are within expected ranges.
0.542641
0.971828
-6.5129

ADMET

Energy
47.4789
Solubility
-2.848
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-0.05
EXT_CYP2D6
2
Prediction
0.224387
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
9.79385
Hepatotoxic
0.156205
Hepatotoxic Prediction
-3.39911
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
6.65208
Absorption_Level
0.999134
EXT_PPB
0
EXT_PPB Prediction
-4.56188
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
7.75671
ADMET_AlogP98
0.999998
ADMET_PSA_2D
3.534
ADMET_BBB
62.446

Ligand Efficency

Energy
Energy/LEHA
47.4789
2.79288

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