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 | |||||||||
25.0106 | 7.305 | 284.477 | 1 | 2 | 16 | 0 | 0 | 0.105 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
27.5375 | Non-Mutagen | All properties and OPS components are within expected ranges. | 2.86369E-6 | 5.12864E-6 | -43.4879 |
Energy |
25.0106 |
|
Solubility |
-5.288 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-1.29016 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
13.6897 |
|
Hepatotoxic |
5.72157E-5 |
|
Hepatotoxic Prediction |
-23.3726 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
6.431 | |
Absorption_Level |
0.999738 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
3.42964 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
10.3965 | |
ADMET_AlogP98 |
0.778916 | |
ADMET_PSA_2D |
7.305 | |
ADMET_BBB |
38.116 |
Energy |
Energy/LEHA |
25.0106 |
1.25053 |