Table 3. Drug-Likeness Predictions of the Test Compounds Computed by SwissADMEa.
| compound | formula | mol. wt.(g/mol) | NHD | NHA | Log P (c Log P) | Lipinski’s ROF violation | NRB | TPSA (Å2) | Veber’s rule violation |
|---|---|---|---|---|---|---|---|---|---|
| 1 | C26H54 | 366.71 | 0 | 0 | 10.09 | 1 | 23 | 0 | 1 |
| 2 | C18H38 | 254.49 | 0 | 0 | 7.18 | 1 | 15 | 0 | 1 |
| 3 | C29H48O4 | 460.69 | 4 | 4 | 4.45 | 0 | 6 | 80.92 | 0 |
| 4 | C29H48O3 | 444.69 | 3 | 3 | 5.13 | 1 | 1 | 60.69 | 0 |
| 5 | C23H42O2 | 350.58 | 0 | 2 | 7.15 | 1 | 19 | 26.3 | 1 |
| 6 | C29H48O | 412.69 | 1 | 1 | 6.89 | 1 | 5 | 20.23 | 0 |
| 7 | C30H44O7 | 516.67 | 4 | 7 | 2.63 | 1 | 4 | 132.13 | 0 |
| 8 | C30H44O7 | 516.67 | 4 | 7 | 2.63 | 1 | 4 | 132.13 | 0 |
| 9 | C30H46O7 | 518.68 | 4 | 7 | 2.78 | 1 | 5 | 132.13 | 0 |
| Cipro | C17H18FN3O3 | 331.34 | 2 | 6 | 1.1 | 0 | 3 | 74.57 | 0 |
a
NHD = Number of Hydrogen donor; NHA = Number of Hydrogen acceptor; NRB = Number of rotatable bonds; and TPSA = total polar surface area.