Table 1.
Physicochemical properties of the compounds.
| Compds. | HBA | HBD | RC | nRB | nAC | NV | logP(o/w) | MR | TPSA | MW |
|---|---|---|---|---|---|---|---|---|---|---|
| 8a | 4 | 3 | 2 | 11 | 0 | 1 | 4.45 | 13.40 | 150.19 | 504.61 |
| 8b | 4 | 3 | 2 | 11 | 0 | 1 | 4.75 | 13.47 | 150.19 | 525.03 |
| 8c | 4 | 3 | 2 | 12 | 0 | 1 | 5.30 | 14.32 | 150.19 | 532.66 |
| 8d | 4 | 3 | 2 | 11 | 0 | 1 | 4.34 | 13.04 | 150.19 | 508.57 |
| 8e | 4 | 3 | 2 | 10 | 0 | 0 | 4.82 | 13.32 | 104.37 | 473.64 |
| 8f | 4 | 3 | 2 | 11 | 0 | 1 | 5.66 | 14.23 | 104.37 | 501.69 |
| 8g | 4 | 3 | 2 | 10 | 0 | 0 | 4.71 | 12.96 | 104.37 | 477.60 |
| 8h | 4 | 3 | 2 | 10 | 0 | 1 | 5.32 | 13.64 | 104.37 | 538.51 |
| 8i | 4 | 3 | 2 | 10 | 0 | 0 | 5.11 | 13.39 | 104.37 | 494.06 |
| 8j | 4 | 3 | 2 | 10 | 0 | 0 | 4.52 | 12.87 | 104.37 | 459.61 |
TPSA, total polar surface area; NA, number of atoms; MW, molecular weight; HBA, hydrogen bond acceptor; HBD, hydrogen bond donor; NV, number of violations; nRB, number of rotatable bond. RC, ring compounds; nAc, number of acid; logP (o/w) means the logarithm of 1-octanol/water partition coefficient.