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 | |||||||||
78.7464 | 2.394 | 300.263 | 3 | 6 | 2 | 3 | 2 | 0.341 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
78.7464 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.073199 | 0.131094 | -18.5213 |
Energy |
78.7464 |
|
Solubility |
-3.208 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.959 |
|
EXT_CYP2D6 |
3 |
|
Prediction |
1.52114 |
|
Applicability |
1 |
|
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
11.673 |
|
Hepatotoxic |
0.0058866 |
|
Hepatotoxic Prediction |
-1.38198 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges._x000D_
Unknown FCFP_2 feature: -1678245750: [*]O\C(=C/[*])\[c](:[*]):[*] | |
Hepatotoxic_Applicability MDpvalue |
9.45305 | |
Absorption_Level |
0.249539 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-0.203611 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
11.228 | |
ADMET_AlogP98 |
0.370683 | |
ADMET_PSA_2D |
2.394 | |
ADMET_BBB |
97.607 |
Energy |
Energy/LEHA |
78.7464 |
3.57938 |