Table 3 Calculated molecular profile for synthesized compounds 10a-m
Compound | Descriptor | ||||||
|---|---|---|---|---|---|---|---|
Mw | cLogP | H-bond acceptor | H-Bond Donor | BBB | Human intestinal absorption | Caco-2 permeability | |
10a | 430.46 | 3.27 | 8 | 0 | + 0.9757 | + 0.9298 | − 0.8029 |
10b | 444.49 | 3.58 | 8 | 0 | + 0.9754 | + 0.9370 | − 0.7985 |
10c | 444.49 | 3.58 | 8 | 0 | + 0.9757 | + 0.9370 | − 0.7908 |
10d | 460.49 | 3.28 | 9 | 0 | + 0.9757 | + 0.9298 | − 0.7587 |
10e | 448.45 | 3.41 | 8 | 0 | + 0.9757 | + 0.9294 | − 0.8157 |
10f | 448.45 | 3.41 | 8 | 0 | + 0.9757 | + 0.9294 | − 0.7970 |
10g | 448.45 | 3.41 | 8 | 0 | + 0.9757 | + 0.9294 | − 0.8152 |
10h | 466.44 | 3.55 | 8 | 0 | + 0.9757 | + 0.9294 | − 0.8211 |
10i | 464.91 | 3.92 | 8 | 0 | + 0.9746 | + 0.9319 | − 0.8289 |
10j | 464.91 | 3.92 | 8 | 0 | + 0.9746 | + 0.9319 | − 0.8211 |
10k | 509.36 | 4.03 | 8 | 0 | + 0.9751 | + 0.9131 | − 0.8299 |
10l | 509.36 | 4.03 | 8 | 0 | + 0.9751 | + 0.9131 | − 0.8115 |
10m | 509.36 | 4.03 | 8 | 0 | + 0.9751 | + 0.9131 | − 0.8306 |