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 | |||||||||
69.4121 | 6.109 | 314.462 | 1 | 2 | 4 | 3 | 1 | 0.084 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
69.4121 | Non-Mutagen | All properties and OPS components are within expected ranges. | 1.79439E-7 | 3.21361E-7 | -48.4486 |
Energy |
69.4121 |
|
Solubility |
-6.445 |
|
Solubility_Level |
1 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
1.264 |
|
EXT_CYP2D6 |
0 |
|
Prediction |
-0.865121 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
13.0705 |
|
Hepatotoxic |
0.000257517 |
|
Hepatotoxic Prediction |
-3.23347 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
12.9986 | |
Absorption_Level |
1.82482E-6 | |
EXT_PPB |
1 | |
EXT_PPB Prediction |
21.2978 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
12.7062 | |
ADMET_AlogP98 |
0.0145598 | |
ADMET_PSA_2D |
6.109 | |
ADMET_BBB |
29.745 |
Energy |
Energy/LEHA |
69.4121 |
3.01792 |