Table 3. Physicochemical parameters of 5,6-benzoflavone derivatives.
Compound | Molecular weight | No. of H-bond donors | No. of H-bond acceptors | Molar refractivity (cm3 mol–1) | Log P | No. of Lipinski violation |
B-1 | 272 | 0 | 2 | 83.42 | 3.90 | 0 |
B-2 | 302 | 0 | 3 | 89.88 | 3.80 | 0 |
B-3 | 332 | 0 | 4 | 96.35 | 3.64 | 0 |
B-4 | 332 | 0 | 4 | 96.35 | 3.64 | 0 |
B-5 | 356 | 0 | 2 | 89.40 | 4.83 | 0 |
B-6 | 356 | 0 | 2 | 89.40 | 4.83 | 0 |
B-7 | 290 | 0 | 2 | 83.64 | 4.10 | 0 |
B-8 | 290 | 0 | 2 | 83.64 | 4.10 | 0 |
B-9 | 290 | 0 | 2 | 83.64 | 4.10 | 0 |
B-10 | 308 | 0 | 2 | 83.85 | 4.24 | 0 |
B-11 | 308 | 0 | 2 | 83.85 | 4.24 | 0 |
B-12 | 308 | 0 | 2 | 83.85 | 4.24 | 0 |
B-13 | 308 | 0 | 2 | 83.85 | 4.24 | 0 |
B-14 | 308 | 0 | 2 | 83.85 | 4.24 | 0 |
B-15 | 306 | 0 | 2 | 88.23 | 4.56 | 0 |
B-16 | 341 | 0 | 2 | 93.03 | 5.16 | 0 |
B-17 | 351 | 0 | 2 | 91.04 | 4.73 | 0 |
B-18 | 351 | 0 | 2 | 91.04 | 4.73 | 0 |
B-19 | 351 | 0 | 2 | 91.04 | 4.73 | 0 |
B-20 | 398 | 0 | 2 | 96.78 | 4.89 | 0 |
B-21 | 398 | 0 | 2 | 96.78 | 4.89 | 0 |
B-22 | 317 | 0 | 4 | 90.75 | 3.90 | 0 |
B-23 | 317 | 0 | 4 | 90.75 | 3.90 | 0 |
B-24 | 362 | 0 | 6 | 98.07 | 3.84 | 0 |
B-25 | 286 | 0 | 2 | 88.46 | 4.47 | 0 |
B-26 | 340 | 0 | 2 | 89.40 | 4.83 | 0 |
B-27 | 340 | 0 | 2 | 89.40 | 4.83 | 0 |
B-28 | 340 | 0 | 2 | 89.40 | 4.83 | 0 |
B-29 | 408 | 0 | 2 | 95.37 | 5.71 | 0 |
B-30 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-31 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-32 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-33 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-34 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-35 | 358 | 0 | 2 | 89.61 | 4.98 | 0 |
B-36 | 320 | 0 | 2 | 93.29 | 4.54 | 0 |
B-37 | 320 | 0 | 2 | 93.29 | 4.54 | 0 |
B-38 | 315 | 0 | 3 | 97.85 | 4.06 | 0 |
B-39 | 330 | 0 | 3 | 94.55 | 3.56 | 0 |
B-40 | 330 | 0 | 3 | 94.55 | 3.56 | 0 |