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 | |||||||||
164.563 | 5.03 | 594.611 | 8 | 8 | 9 | 5 | 5 | 0.313 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
164.563 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.479618 | 0.858959 | -7.97139 |
Energy |
164.563 |
|
Solubility |
-5.458 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-2.59864 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
18.5233 |
|
Hepatotoxic |
1.76044E-10 |
|
Hepatotoxic Prediction |
-1.87413 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
14.0526 | |
Absorption_Level |
7.39502E-9 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
-0.314105 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
14.7505 | |
ADMET_AlogP98 |
2.59148E-6 | |
ADMET_PSA_2D |
5.03 | |
ADMET_BBB |
185.115 |
Energy |
Energy/LEHA |
164.563 |
3.74007 |