Table 2.
Physio-chemical properties of compounds 9a-9o.
| Compound | MW (molecular weight) | TPSA (total polar surface area) | iLOGP | BBB permeant | Lipinski #violations | MR (molar refractivity) | # Hydrogen bond acceptor | #Hydrogen bond donor |
|---|---|---|---|---|---|---|---|---|
| 9a | 384.82 | 75.2 | 3.82 | Yes | 0 | 100.58 | 6 | 0 |
| 9b | 419.26 | 75.2 | 3.88 | No | 0 | 105.59 | 6 | 0 |
| 9c | 419.26 | 75.2 | 3.99 | No | 0 | 105.59 | 6 | 0 |
| 9d | 419.26 | 75.2 | 3.95 | No | 0 | 105.59 | 6 | 0 |
| 9e | 416.83 | 75.2 | 3.95 | No | 0 | 105.5 | 7 | 0 |
| 9f | 398.84 | 75.2 | 3.96 | Yes | 0 | 105.55 | 6 | 0 |
| 9g | 414.84 | 84.43 | 3.96 | No | 0 | 107.07 | 7 | 0 |
| 9h | 414.84 | 84.43 | 3.96 | No | 0 | 107.07 | 7 | 0 |
| 9i | 481.7 | 75.2 | 4 | No | 0 | 108.24 | 7 | 0 |
| 9j | 402.81 | 75.2 | 3.84 | Yes | 0 | 100.54 | 7 | 0 |
| 9k | 452.81 | 75.2 | 4.03 | No | 0 | 105.58 | 9 | 0 |
| 9l | 452.81 | 75.2 | 4.06 | No | 0 | 105.58 | 9 | 0 |
| 9m | 412.87 | 75.2 | 3.88 | No | 0 | 110.51 | 6 | 0 |
| 9n | 463.71 | 75.2 | 4.06 | No | 0 | 108.28 | 6 | 0 |
| 9o | 531.71 | 75.2 | 4.22 | No | 1 | 113.28 | 9 | 0 |