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 | |||||||||
56.2813 | 2.864 | 285.338 | 0 | 3 | 3 | 3 | 1 | 0.132 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
56.2813 | Non-Mutagen | All properties and OPS components are within expected ranges. | 6.01672E-6 | 1.07755E-5 | -42.0783 |
Energy |
56.2813 |
|
Solubility |
-3.853 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
0.122 |
|
EXT_CYP2D6 |
1 |
|
Prediction |
-6.62793 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
12.1576 |
|
Hepatotoxic |
0.00209185 |
|
Hepatotoxic Prediction |
-4.51305 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
10.3269 | |
Absorption_Level |
0.0420496 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
4.96323 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
12.114 | |
ADMET_AlogP98 |
0.0728819 | |
ADMET_PSA_2D |
2.864 | |
ADMET_BBB |
38.513 |
Energy |
Energy/LEHA |
56.2813 |
2.68006 |