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 | |||||||||
64.1663 | 1.721 | 289.369 | 1 | 4 | 5 | 3 | 1 | 0.167 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
64.1663 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.000327624 | 0.000586749 | -33.7166 |
Energy |
64.1663 |
|
Solubility |
-2.52 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.42 |
|
EXT_CYP2D6 |
2 |
|
Prediction |
-4.04876 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
9.56797 |
|
Hepatotoxic |
0.209549 |
|
Hepatotoxic Prediction |
-20.7674 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
8.29128 | |
Absorption_Level |
0.792337 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-23.3936 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.57561 | |
ADMET_AlogP98 |
0.971186 | |
ADMET_PSA_2D |
1.721 | |
ADMET_BBB |
50.398 |
Energy |
Energy/LEHA |
64.1663 |
3.05554 |