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 | |||||||||
58.1115 | 2.296 | 136.234 | 0 | 0 | 0 | 4 | 0 | 0 |
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 |
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 |
Energy |
Energy/LEHA |
58.1115 |
5.81115 |