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 | |||||||||
11.5186 | 3.502 | 136.234 | 0 | 0 | 1 | 1 | 0 | 0 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
11.5186 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.0814794 | 0.145923 | -18.1114 |
Energy |
11.5186 |
|
Solubility |
-3.844 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
0.928 |
|
EXT_CYP2D6 |
0 |
|
Prediction |
-1.56532 |
|
Applicability |
||
Applicability_MD |
Molecular_FractionalPolarSurfaceArea out of range. Value: 0. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037. |
|
Applicability_Mdpvalue |
12.165 |
|
Hepatotoxic |
0.00205808 |
|
Hepatotoxic Prediction |
-9.94406 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
9.25896 | |
Absorption_Level |
0.331919 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
0.594508 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.26372 | |
ADMET_AlogP98 |
0.990378 | |
ADMET_PSA_2D |
3.502 | |
ADMET_BBB |
0 |
Energy |
Energy/LEHA |
11.5186 |
1.15186 |