Table 2.
Calculated molecular properties of designed compounds by SwissADME web server.
| Drug Likeness Lipinski’s rule of 5 | ||||||
|---|---|---|---|---|---|---|
| Compound no. | MWa | MLogPb | H-bond-accc | H-bond-dond | Solubility (LogS) | TPSAe (Å) |
| 1 | 245.23 | 0.09 | 5 | 1 | − 3.75 | 94.30 |
| 2 | 349.34 | 1.42 | 6 | 1 | − 6.58 | 97.38 |
| 3 | 383.79 | 1.91 | 6 | 1 | − 7.17 | 97.38 |
| 4 | 417.34 | 1.98 | 9 | 1 | − 7.41 | 97.38 |
| 5 | 435.33 | 2.36 | 10 | 1 | − 7.67 | 97.38 |
| 6 | 417.34 | 1.98 | 9 | 1 | − 7.41 | 97.38 |
| 7 | 385.32 | 2.18 | 8 | 1 | − 7.11 | 97.38 |
| 8 | 367.33 | 1.80 | 7 | 1 | − 6.84 | 97.38 |
aMW ≤ 500, bMLogP ≤ 5, cH-bond acceptor ≤ 10, dH-bond donor ≤ 5, eTopological polar surface area.