Table 2.
Prediction of physicochemical properties of compounds 6a–6x, Z, and SMART
| Compound | cLogP | PSA | HBA | HBD |
|---|---|---|---|---|
| 6a | 1.90 | 98.86 | 8 | 1 |
| 6b | 2.51 | 98.86 | 8 | 1 |
| 6c | 2.51 | 98.86 | 8 | 1 |
| 6d | 2.34 | 98.86 | 8 | 1 |
| 6e | 1.85 | 144.78 | 10 | 1 |
| 6f | 2.06 | 98.86 | 8 | 1 |
| 6g | 2.25 | 98.86 | 8 | 1 |
| 6h | 2.22 | 98.86 | 8 | 1 |
| 6i | 2.57 | 98.86 | 8 | 1 |
| 6j | 2.74 | 98.86 | 8 | 1 |
| 6k | 2.55 | 98.86 | 8 | 1 |
| 6l | 2.57 | 98.86 | 8 | 1 |
| 6m | 2.36 | 98.86 | 8 | 1 |
| 6n | 1.95 | 108.19 | 9 | 1 |
| 6o | 3.14 | 98.86 | 8 | 1 |
| 6p | 2.65 | 98.86 | 8 | 1 |
| 6q | 2.62 | 98.86 | 8 | 1 |
| 6r | 2.22 | 108.19 | 9 | 1 |
| 6s | 2.12 | 144.78 | 10 | 1 |
| 6t | 2.33 | 98.86 | 8 | 1 |
| 6u | 2.49 | 98.86 | 8 | 1 |
| 6v | 1.76 | 108.19 | 9 | 1 |
| 6w | 1.66 | 144.78 | 10 | 1 |
| 6x | 1.86 | 98.86 | 8 | 1 |
| Z | 2.90 | 75.49 | 6 | 0 |
| SMART | 4.11 | 57.66 | 5 | 0 |
cLogP, calculated logarithm of octanol–water partition coefficient; HBA, hydrogen-bond acceptor atoms; HBD, hydrogen-bond donor atoms; PSA, polar surface area.