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 | |||||||||
144.065 | -0.172 | 478.36 | 8 | 13 | 4 | 4 | 2 | 0.534 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
144.065 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.374544 | 0.670778 | -10.2218 |
Energy |
144.065 |
|
Solubility |
-4.667 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-4.27606 |
|
Applicability |
||
Applicability_MD |
Molecular_FractionalPolarSurfaceArea out of range. Value: 0.534. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037._x000D_
OPS PC12 out of range. Value: -3.1993. Training min, max, SD, explained variance: -3.0858, 3.4931, 1.373, 0.0246. |
|
Applicability_Mdpvalue |
14.0408 |
|
Hepatotoxic |
2.38213E-5 |
|
Hepatotoxic Prediction |
-1.08595 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges._x000D_
Unknown FCFP_2 feature: -1678245750: [*]OC(=C([*])[*])[c](:[*]):[*] | |
Hepatotoxic_Applicability MDpvalue |
11.5102 | |
Absorption_Level |
0.00108058 | |
EXT_PPB |
3 | |
EXT_PPB Prediction |
-10.1727 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
21.501 | |
ADMET_AlogP98 |
1.96347E-29 | |
ADMET_PSA_2D |
-0.172 | |
ADMET_BBB |
227.915 |
Energy |
Energy/LEHA |
144.065 |
4.23721 |