Table 5.
Molecule | MW | #H-Bond Acceptors | #H-Bond donors | MR (Molar Refractivity) | TPSA | iLogP | BBB | Bioavailability | Drug Likeness |
---|---|---|---|---|---|---|---|---|---|
8 | 311.79 | 3 | 1 | 81.12 | 92.23 | 1.85 | 4.17 | 0.55 | 0.77 |
9a | 415.51 | 5 | 2 | 114.49 | 130.29 | 3.11 | 3.09 | 0.55 | 0.90 |
9b | 415.51 | 5 | 2 | 114.49 | 130.29 | 2.88 | 3.10 | 0.55 | 0.90 |
10a | 362.45 | 5 | 1 | 101.34 | 104.7 | 2.45 | 3.60 | 0.55 | 1.06 |
11 | 360.49 | 2 | 2 | 103.76 | 110.69 | 3.46 | 4.29 | 0.55 | 0.52 |
12 | 312.39 | 2 | 2 | 91 | 101.18 | 2.63 | 4.01 | 0.55 | 0.57 |
# means (number).