INDIAN MEDICINAL PHYTOCHEMICAL DATABASE
Developed Under an Indian Council of Medical Research Funded Project
(Govt. Of India, Sanction No:BIC/12(31)/2013)
Energy | AlgoP | Mw | HBD | HBA | NRB | #Ring | #Aromatic Rings | PSA | |||||||||
62.5887 | -2.38 | 283.241 | 5 | 8 | 2 | 3 | 1 | 0.587 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
328.721 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.0813325 | 0.14566 | -18.1184 |
Energy |
62.5887 |
|
Solubility |
-0.361 |
|
Solubility_Level |
4 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-4.86209 |
|
Applicability |
||
Applicability_MD |
ALogP out of range. Value: -2.38. Training min, max, mean, SD: -0.811, 9.062, 3.2351, 1.51._x000D_
Molecular_FractionalPolarSurfaceArea out of range. Value: 0.587. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037._x000D_
Unknown FCFP_2 feature: |
|
Applicability_Mdpvalue |
19.587 |
|
Hepatotoxic |
1.04962E-11 |
|
Hepatotoxic Prediction |
-0.36382 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
10.0316 | |
Absorption_Level |
0.0840598 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
-21.9517 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
14.713 | |
ADMET_AlogP98 |
3.15887E-6 | |
ADMET_PSA_2D |
-2.38 | |
ADMET_BBB |
155.96 |
Energy |
Energy/LEHA |
62.5887 |
3.12943 |