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 | |||||||||
103.954 | 2.772 | 327.374 | 2 | 5 | 3 | 4 | 2 | 0.182 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
103.954 | Mutagen | All properties and OPS components are within expected ranges. | 0.73979 | 1.32491 | 0.0429077 |
Energy |
103.954 |
|
Solubility |
-4.335 |
|
Solubility_Level |
2 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.253 |
|
EXT_CYP2D6 |
2 |
|
Prediction |
-4.91848 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
10.4603 |
|
Hepatotoxic |
0.0571634 |
|
Hepatotoxic Prediction |
2.00332 |
|
Hepatotoxic_Applicability |
1 |
|
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
9.97519 | |
Absorption_Level |
0.0949483 | |
EXT_PPB |
0 | |
EXT_PPB Prediction |
-3.09998 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.83828 | |
ADMET_AlogP98 |
0.937205 | |
ADMET_PSA_2D |
2.773 | |
ADMET_BBB |
60.416 |
Energy |
Energy/LEHA |
103.954 |
4.33142 |