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 | |||||||||
23.0629 | 0.271 | 141.211 | 1 | 2 | 0 | 2 | 0 | 0.153 |
Energy | Prediction | Applicability | Probablity | Enrichment | Score | ||||||
23.0629 | Non-Mutagen | All properties and OPS components are within expected ranges. | 0.468555 | 0.839145 | -8.2157 |
Energy |
23.0629 |
|
Solubility |
-0.731 |
|
Solubility_Level |
4 |
|
Unknown_AlogP98 |
0 |
|
BBB_Level |
-0.453 |
|
EXT_CYP2D6 |
2 |
|
Prediction |
-4.15925 |
|
Applicability |
||
Applicability_MD |
All properties and OPS components are within expected ranges. |
|
Applicability_Mdpvalue |
11.4563 |
|
Hepatotoxic |
0.00915714 |
|
Hepatotoxic Prediction |
-8.40255 |
|
Hepatotoxic_Applicability |
||
Hepatotoxic_Applicability MD |
All properties and OPS components are within expected ranges. | |
Hepatotoxic_Applicability MDpvalue |
7.2862 | |
Absorption_Level |
0.98618 | |
EXT_PPB |
1 | |
EXT_PPB Prediction |
-8.85684 | |
PPB_Applicability |
||
PPB_Applicability MD |
All properties and OPS components are within expected ranges. | |
PPB_Applicability Mdpvalue |
9.12848 | |
ADMET_AlogP98 |
0.994376 | |
ADMET_PSA_2D |
0.271 | |
ADMET_BBB |
24.167 |
Energy |
Energy/LEHA |
23.0629 |
2.30629 |