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 | |||||||||
101.325 | 2.135 | 317.336 | 0 | 5 | 5 | 2 | 1 | 0.189 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
101.325 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.184554 | 0.330521 | -14.5584 |
Energy |
101.325 |
|
Solubility |
-3.544 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.357 |
|
EXT_CYP2D6 |
2 |
|
Prediction |
-6.27367 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
14.8811 |
|
Hepatotoxic |
2.77911E-6 |
|
Hepatotoxic Prediction |
-4.05974 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
11.273 | |
Absorption_Level |
0.00250972 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
0.295038 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
12.2952 | |
ADMET_AlogP98 |
0.0465642 | |
ADMET_PSA_2D |
2.659 | |
ADMET_BBB |
64.744 |
Energy |
Energy/LEHA |
101.325 |
4.40543 |