Table 5.
In-silico ADME properties of reference molecule and 5g and 5h.
| Sr No. | Parameters | Reference | 5g | 5h |
|---|---|---|---|---|
| 1. | HB Donor | 1 | 2 | 3 |
| 2. | HB Acceptor | 2 | 13 | 14 |
| 3. | LogPo/w | 3.496 | 0.072 | −0.973 |
| 4. | logBBB | −0.487 | −3.772 | −3.716 |
| 5. | Metabolism | 2 | 1 | 2 |
| 6. | % Human oral Absorption | 92.674 | 15.211 | 8.391 |
| 7. | PSA | 46.701 | 202.748 | 212.002 |
| 8. | Ro5 Violation | 0 | 1 | 1 |
| 9. | Ro3 Violation | 0 | 1 | 1 |
| 10. | Molecular Weight | 206.284 | 462.387 | 427.342 |