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 | |||||||||
146.814 | 2.953 | 353.369 | 0 | 6 | 0 | 5 | 2 | 0.17 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
146.814 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.415588 | 0.744286 | -9.356 |
Energy |
146.814 |
|
Solubility |
-5.072 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
2 |
|
Prediction |
-0.922806 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
13.3728 |
|
Hepatotoxic |
0.000124447 |
|
Hepatotoxic Prediction |
-0.0225028 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
10.3943 | |
Absorption_Level |
0.0354449 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
1.75804 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
10.0329 | |
ADMET_AlogP98 |
0.896733 | |
ADMET_PSA_2D |
2.953 | |
ADMET_BBB |
56.373 |
Energy |
Energy/LEHA |
146.814 |
5.64669 |