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 | |||||||||
30.9214 | 0.904 | 166.174 | 2 | 3 | 3 | 1 | 1 | 0.326 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
30.9214 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.633915 | 1.13529 | -4.05264 |
Energy |
30.9214 |
|
Solubility |
-0.6 |
|
Solubility_Level |
4 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
3 |
|
Prediction |
-2.78584 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
12.4335 |
|
Hepatotoxic |
0.0011309 |
|
Hepatotoxic Prediction |
-2.13351 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
7.79319 | |
Absorption_Level |
0.931876 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-3.7303 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.37083 | |
ADMET_AlogP98 |
0.985667 | |
ADMET_PSA_2D |
0.904 | |
ADMET_BBB |
58.931 |
Energy |
Energy/LEHA |
30.9214 |
2.57678 |