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 | |||||||||
0.617 | 348.39 | 3 | 6 | 1 | 5 | 0 | 0.319 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
Non-Mutagen | All properties and OPS components are within expected ranges. | 0.00270961 | 0.0048527 | -28.567 |
Energy |
||
Solubility |
-2.563 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-1.64 |
|
EXT_CYP2D6 |
3 |
|
Prediction |
-9.21552 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
8.74758 |
|
Hepatotoxic |
0.48818 |
|
Hepatotoxic Prediction |
-7.5718 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
8.76131 | |
Absorption_Level |
0.578444 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-2.13233 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
10.8574 | |
ADMET_AlogP98 |
0.561276 | |
ADMET_PSA_2D |
0.617 | |
ADMET_BBB |
105.978 |
Energy |
Energy/LEHA |