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 | |||||||||
158.039 | 4.471 | 596.626 | 8 | 8 | 9 | 5 | 4 | 0.312 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
158.039 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.13866 | 0.248329 | -15.9068 |
Energy |
158.039 |
|
Solubility |
-4.884 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-5.61327 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
15.5168 |
|
Hepatotoxic |
5.27837E-7 |
|
Hepatotoxic Prediction |
-3.49142 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
13.4146 | |
Absorption_Level |
2.2651E-7 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
-4.51558 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
16.1568 | |
ADMET_AlogP98 |
5.93144E-10 | |
ADMET_PSA_2D |
4.471 | |
ADMET_BBB |
185.115 |
Energy |
Energy/LEHA |
158.039 |
3.5918 |