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 | |||||||||
111.127 | -0.52 | 364.433 | 5 | 6 | 1 | 4 | 0 | 0.319 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
186.317 | Non-Mutagen | OPS PC34 out of range. Value: -5.1491. Training min, max, SD, | 0 | 0 | -77.9321 |
Energy |
111.127 |
|
Solubility |
-0.811 |
|
Solubility_Level |
4 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-7.16367 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
12.1223 |
|
Hepatotoxic |
0.00226005 |
|
Hepatotoxic Prediction |
-3.77942 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
11.2102 | |
Absorption_Level |
0.00310891 | |
EXT_PPB |
1 | |
EXT_PPB Prediction |
-4.8086 | |
PPB_Applicability |
||
PPB_Applicability MD |
OPS PC25 out of range. Value: -3.1104. Training min, max, SD, explained variance: -2.9886, 4.7328, 1.181, 0.0115. | |
PPB_Applicability Mdpvalue |
11.8635 | |
ADMET_AlogP98 |
0.126897 | |
ADMET_PSA_2D |
-0.52 | |
ADMET_BBB |
121.378 |
Energy |
Energy/LEHA |
111.127 |
4.27412 |