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 | |||||||||
78.8824 | 2.237 | 354.353 | 0 | 6 | 2 | 6 | 2 | 0.18 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
78.8824 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.535598 | 0.959214 | -6.6829 |
Energy |
78.8824 |
|
Solubility |
-4.296 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.311 |
|
EXT_CYP2D6 |
2 |
|
Prediction |
-0.200572 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
13.7374 |
|
Hepatotoxic |
5.08433E-5 |
|
Hepatotoxic Prediction |
-0.787141 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
10.9982 | |
Absorption_Level |
0.0062335 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
2.65826 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
10.0454 | |
ADMET_AlogP98 |
0.893613 | |
ADMET_PSA_2D |
2.236 | |
ADMET_BBB |
53.58 |
Energy |
Energy/LEHA |
78.8824 |
3.03394 |