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 A1
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
0.617
348.39
3
6
1
5
0
0.319

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
Non-Mutagen
All properties and OPS components are within expected ranges.
0.00270961
0.0048527
-28.567

ADMET

Energy
Solubility
-2.563
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
-1.64
EXT_CYP2D6
3
Prediction
-9.21552
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
8.74758
Hepatotoxic
0.48818
Hepatotoxic Prediction
-7.5718
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.76131
Absorption_Level
0.578444
EXT_PPB
0
EXT_PPB Prediction
-2.13233
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
10.8574
ADMET_AlogP98
0.561276
ADMET_PSA_2D
0.617
ADMET_BBB
105.978

Ligand Efficency

Energy
Energy/LEHA

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