Table 2.
ADMET profiles of the top selected compounds.
| AMEDT/ID | 1 | 2 | 3 | 4 | 5 |
|---|---|---|---|---|---|
| MW | 270.32 | 364.35 | 352.34 | 320.34 | 336.34 |
| TPSA | 49.69 | 78.13 | 100.13 | 59.67 | 79.9 |
| LogP o/w | 2.62 | 3.51 | 2.89 | 3.07 | 2.47 |
| LogS | −4.66 | −3.57 | −3.36 | −3.9 | −3.61 |
| HBA | 3 | 6 | 6 | 4 | 5 |
| HBD | 2 | 1 | 3 | 1 | 2 |
| RB | 1 | 1 | 1 | 1 | 1 |
| HIA | 0.99 | 0.95 | 0.97 | 0.97 | 0.97 |
| HOB | 0.61 | 0.55 | 0.51(−) | 0.51 | 0.58(−) |
| Caco-2 | 0.84 | 0.51 | 0.64 | 0.6 | 0.7 |
| %AB | 82.86 | 73.05 | 65.46 | 79.42 | 72.44 |
| BBB | 0.84 | 0.93 | 0.79 | 0.83 | 0.23(−) |
| PPB | 1.12 | 0.87 | 0.916 | 0.83 | 0.84 |
| h-ERG | 0.48(−) | 0.47(−) | 0.59(−) | 0.63(−) | 0.56(−) |