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 | |||||||||
122.222 | 0.823 | 303.353 | 1 | 5 | 5 | 4 | 1 | 0.213 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
122.222 | Non-Mutagen | All properties and OPS components are within expected ranges. | 1.18853E-5 | 2.12856E-5 | -40.7515 |
Energy |
122.222 |
|
Solubility |
-2.075 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.838 |
|
EXT_CYP2D6 |
3 |
|
Prediction |
-4.6549 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
9.98163 |
|
Hepatotoxic |
0.120086 |
|
Hepatotoxic Prediction |
-13.7974 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
8.5352 | |
Absorption_Level |
0.688691 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-19.706 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.68037 | |
ADMET_AlogP98 |
0.960081 | |
ADMET_PSA_2D |
0.823 | |
ADMET_BBB |
59.328 |
Energy |
Energy/LEHA |
122.222 |
5.55555 |