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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Teresantanane
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
58.1115
2.296
136.234
0
0
0
4
0
0

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
58.1115
Non-Mutagen
All properties and OPS components are within expected ranges.
0.476893
0.854078
-8.03183

ADMET

Energy
58.1115
Solubility
-3.44
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.556
EXT_CYP2D6
1
Prediction
-2.00141
Applicability
Applicability_MD
Molecular_FractionalPolarSurfaceArea out of range. Value: 0. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037._x000D_ OPS PC5 out of range. Value: -3.8224. Training min, max, SD, explained variance: -3.7579, 4.4942, 2.102, 0.0577.
Applicability_Mdpvalue
11.7487
Hepatotoxic
0.00502878
Hepatotoxic Prediction
-4.41895
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
5.22822
Absorption_Level
1
EXT_PPB
1
EXT_PPB Prediction
-1.95684
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
7.19225
ADMET_AlogP98
1
ADMET_PSA_2D
2.296
ADMET_BBB
0

Ligand Efficency

Energy
Energy/LEHA
58.1115
5.81115

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