Table 1.
In-silico ADME evaluation of synthesized compounds (3a-u).
| Compound | TPSAa | LVb | PAINSc | WLOGPd | AHAe | BBBf | GIAg | LLh | BAi |
|---|---|---|---|---|---|---|---|---|---|
| 3a | 92.69 | 0 | 0 | 3.92 | 18 | No | High | 0 | 0.55 |
| 3b | 112.92 | 0 | 0 | 3.62 | 18 | No | High | 1 | 0.55 |
| 3c | 112.92 | 0 | 0 | 4.39 | 18 | No | High | 1 | 0.55 |
| 3d | 122.15 | 0 | 0 | 3.63 | 18 | No | High | 1 | 0.55 |
| 3e | 138.51 | 0 | 0 | 3.83 | 18 | No | Low | 1 | 0.55 |
| 3f | 95.93 | 0 | 0 | 3.98 | 18 | No | High | 1 | 0.55 |
| 3g | 92.69 | 0 | 0 | 4.48 | 18 | No | High | 1 | 0.55 |
| 3h | 101.92 | 0 | 0 | 3.93 | 18 | No | High | 1 | 0.55 |
| 3i | 112.92 | 0 | 0 | 4.28 | 18 | No | High | 1 | 0.55 |
| 3j | 112.92 | 0 | 0 | 4.18 | 18 | No | High | 1 | 0.55 |
| 3k | 133.15 | 0 | 0 | 3.33 | 18 | No | Low | 1 | 0.55 |
| 3l | 92.69 | 0 | 0 | 5.24 | 18 | No | High | 1 | 0.55 |
| 3m | 92.69 | 0 | 0 | 5.13 | 18 | No | High | 1 | 0.55 |
| 3n | 92.69 | 0 | 0 | 5.24 | 18 | No | High | 1 | 0.55 |
| 3o | 92.69 | 0 | 0 | 5.33 | 18 | No | High | 2 | 0.55 |
| 3p | 92.69 | 0 | 0 | 5.13 | 18 | No | High | 1 | 0.55 |
| 3q | 92.69 | 0 | 0 | 5.22 | 18 | No | High | 2 | 0.55 |
| 3r | 92.69 | 0 | 0 | 5.04 | 18 | No | High | 1 | 0.55 |
| 3s | 92.69 | 0 | 0 | 5.44 | 18 | No | High | 2 | 0.55 |
| 3t | 112.92 | 0 | 0 | 3.62 | 18 | No | High | 1 | 0.55 |
| 3u | 112.92 | 0 | 0 | 3.93 | 18 | No | High | 1 | 0.55 |
aTopological polar surface area, bLipinski violations, cpan-assay interference, dlogarithm of partition coefficient between n-octanol and water, earomatic heavy atom, fblood brain barrier permeation, ggastrointestinal absorption, hlead likeness, ibioavailability.