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 | |||||||||
0.442 | 346.374 | 3 | 6 | 1 | 5 | 0 | 0.325 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
Non-Mutagen | All properties and OPS components are within expected ranges. | 4.43957E-7 | 7.95093E-7 | -46.8738 |
Energy |
||
Solubility |
-2.416 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-1.694 |
|
EXT_CYP2D6 |
3 |
|
Prediction |
-8.91929 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
9.66857 |
|
Hepatotoxic |
0.18442 |
|
Hepatotoxic Prediction |
-8.14986 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
10.2095 | |
Absorption_Level |
0.0559952 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-3.25251 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
12.4176 | |
ADMET_AlogP98 |
0.0336379 | |
ADMET_PSA_2D |
0.442 | |
ADMET_BBB |
105.978 |
Energy |
Energy/LEHA |