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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Gibberellin A3
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
0.442
346.374
3
6
1
5
0
0.325

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
Non-Mutagen
All properties and OPS components are within expected ranges.
4.43957E-7
7.95093E-7
-46.8738

ADMET

Energy
Solubility
-2.416
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-1.694
EXT_CYP2D6
3
Prediction
-8.91929
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
9.66857
Hepatotoxic
0.18442
Hepatotoxic Prediction
-8.14986
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
10.2095
Absorption_Level
0.0559952
EXT_PPB
0
EXT_PPB Prediction
-3.25251
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.4176
ADMET_AlogP98
0.0336379
ADMET_PSA_2D
0.442
ADMET_BBB
105.978

Ligand Efficency

Energy
Energy/LEHA

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