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 | |||||||||
19.4428 | 4.568 | 200.318 | 1 | 2 | 10 | 0 | 0 | 0.149 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
14.8184 | Non-Mutagen | All properties and OPS components are within expected ranges. | 3.92815E-6 | 7.03501E-6 | -42.8924 |
Energy |
19.4428 |
|
Solubility |
-3.362 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
0.655 |
|
EXT_CYP2D6 |
1 |
|
Prediction |
-1.23722 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
9.90618 |
|
Hepatotoxic |
0.133734 |
|
Hepatotoxic Prediction |
-21.3548 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
5.7213 | |
Absorption_Level |
0.999998 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
0.708971 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
8.46326 | |
ADMET_AlogP98 |
0.999777 | |
ADMET_PSA_2D |
4.568 | |
ADMET_BBB |
38.116 |
Energy |
Energy/LEHA |
19.4428 |
1.38877 |