Table 3.
Calculation of certain properties of compounds 6f, 6i, and 10a in comparison with reported drugs as predicted by OSIRIS Property Explorer and Molinspiration tools.
| ID | Molecular properties |
Druggability |
Toxicity risks |
%ABS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| TPSA | Mwt | Solubility | clogP | Druglikeness | Drug-score | M | T | I | R | ||
| 6a | 156 | 524 | −4.69 | 3.36 | −6.57 | 0.28 | 55.18 | ||||
| 6g | 118 | 512 | −4.81 | 3.74 | −6.1 | 0.28 | 68.29 | ||||
| 10a | 204 | 677 | −5.61 | 2.10 | −6.32 | 0.18 | 38.62 | ||||
| GC-376 | 179 | 485 | −2.75 | −0.97 | −28.75 | 0.37 | 47.24 | ||||
| Lopinavir | 120 | 628 | −6.13 | 4.85 | 7.64 | 0.17 | 67.60 | ||||
The calculation of %ABS was done using this equation ABS = 109−(0.345× TPSA). Green colour encodes no side effects will be reported.