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 | |||||||||
189.565 | 5.124 | 624.68 | 5 | 8 | 12 | 5 | 4 | 0.235 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
189.565 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.0967694 | 0.173306 | -17.4321 |
Energy |
189.565 |
|
Solubility |
-4.726 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
||
EXT_CYP2D6 |
4 |
|
Prediction |
-7.00671 |
|
Applicability |
||
Applicability_MD |
OPS PC6 out of range. Value: 4.3879. Training min, max, SD, explained variance: -5.674, 3.9834, 1.993, 0.0519. |
|
Applicability_Mdpvalue |
17.2319 |
|
Hepatotoxic |
5.53064E-9 |
|
Hepatotoxic Prediction |
-9.83795 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
OPS PC27 out of range. Value: -3.0697. Training min, max, SD, explained variance: -2.3945, 4.4682, 0.8755, 0.0096. | |
Hepatotoxic_Applicability MDpvalue |
13.8875 | |
Absorption_Level |
1.83767E-8 | |
EXT_PPB |
2 | |
EXT_PPB Prediction |
-4.5296 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
14.7265 | |
ADMET_AlogP98 |
2.94136E-6 | |
ADMET_PSA_2D |
5.125 | |
ADMET_BBB |
149.458 |
Energy |
Energy/LEHA |
189.565 |
4.12098 |