Table 4. ADME Properties of Compounds 9a–i.
Compd | MW (Da) | No. of H-bond acceptors | No. of H-bond donors | MR cm3 | TPSA (Å) | iLOGP | GI absorption | Pgp substrate | CYP3A4 inhibitor | Bio availability score |
---|---|---|---|---|---|---|---|---|---|---|
9a | 433.45 | 6 | 0 | 116.95 | 40.58 | 3.54 | High | Yes | Yes | 0.55 |
9b | 512.34 | 6 | 0 | 124.65 | 40.58 | 4.03 | Low | Yes | Yes | 0.17 |
9c | 467.89 | 6 | 0 | 121.96 | 40.58 | 3.94 | Low | Yes | Yes | 0.55 |
9d | 447.47 | 6 | 0 | 121.92 | 40.58 | 3.81 | Low | Yes | Yes | 0.55 |
9e | 458.46 | 7 | 0 | 121.67 | 64.37 | 3.26 | High | Yes | Yes | 0.55 |
9f | 458.46 | 7 | 0 | 121.67 | 64.37 | 3.72 | High | Yes | Yes | 0.55 |
9g | 458.46 | 7 | 0 | 121.67 | 64.37 | 3.65 | High | Yes | Yes | 0.55 |
9h | 469.43 | 8 | 0 | 116.87 | 40.58 | 3.64 | Low | Yes | Yes | 0.55 |
9i | 452.43 | 8 | 0 | 114.71 | 53.47 | 3.46 | High | Yes | Yes | 0.55 |