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 | |||||||||
127.218 | 1.108 | 449.385 | 8 | 10 | 4 | 4 | 3 | 0.47 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
127.218 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.597811 | 1.07063 | -5.09414 |
Energy |
127.218 |
|
Solubility |
-3.607 |
|
Solubility_Level |
3 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-5.91368 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges._x000D_
Unknown FCFP_2 feature: -1861407456: [*][c](:[*]):[c](:[o+]:[*])[c](:[*]):[*]_x000D_
Unknown FCFP_2 feature: -1644150879: [*][c](:[*]):[o+]:[c](:[*]):[*] |
|
Applicability_Mdpvalue |
19.802 |
|
Hepatotoxic |
5.95908E-12 |
|
Hepatotoxic Prediction |
-0.748292 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges._x000D_
Unknown FCFP_2 feature: 307657422: [*]:[o+]:[c](:[c](:[*]):[*]):c:[*]_x000D_
Unknown FCFP_2 feature: -1861407456: [*][c](:[*]):[c](:[o+]:[*])[c](:[*]):[*]_x000D_
Unknown FCFP_2 feature: | |
Hepatotoxic_Applicability MDpvalue |
15.2904 | |
Absorption_Level |
4.96491E-12 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
-16.8628 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges._x000D_
Unknown FCFP_2 feature: 307657422: [*]:[o+]:[c](:[c](:[*]):[*]):c:[*]_x000D_
Unknown FCFP_2 feature: -1861407456: [*][c](:[*]):[c](:[o+]:[*])[c](:[*]):[*]_x000D_
Unknown FCFP_2 feature: | |
PPB_Applicability Mdpvalue |
15.107 | |
ADMET_AlogP98 |
3.67649E-7 | |
ADMET_PSA_2D |
1.018 | |
ADMET_BBB |
196.938 |
Energy |
Energy/LEHA |
127.218 |
3.97556 |