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 | |||||||||
105.568 | 3.62 | 343.417 | 1 | 5 | 5 | 3 | 2 | 0.136 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
105.568 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.42937 | 0.768968 | -9.0629 |
Energy |
105.568 |
|
Solubility |
-4.424 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
1 |
|
Prediction |
-5.27099 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
11.2227 |
|
Hepatotoxic |
0.0145118 |
|
Hepatotoxic Prediction |
1.8124 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
9.1236 | |
Absorption_Level |
0.395671 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-5.45442 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.18315 | |
ADMET_AlogP98 |
0.99298 | |
ADMET_PSA_2D |
3.62 | |
ADMET_BBB |
50.958 |
Energy |
Energy/LEHA |
105.568 |
4.22272 |