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 | |||||||||
109.249 | 8.084 | 414.707 | 1 | 1 | 6 | 4 | 0 | 0.042 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
109.249 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0 | 0 | -84.3742 |
Energy |
109.249 |
|
Solubility |
-8.256 |
|
Solubility_Level |
0 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-2.82595 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
11.7955 |
|
Hepatotoxic |
0.00455895 |
|
Hepatotoxic Prediction |
-8.25473 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
8.97989 | |
Absorption_Level |
0.467163 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
8.59399 | |
PPB_Applicability |
1 | |
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.16249 | |
ADMET_AlogP98 |
0.993539 | |
ADMET_PSA_2D |
8.084 | |
ADMET_BBB |
20.815 |
Energy |
Energy/LEHA |
109.249 |
3.64163 |