Table 2. Drug-Likeness Predictions of the Test and Standard Compounds Calculated by SwissADMEa.
| C.no | formula | Mol. Wt. (g/mol) | NHD | NHA | LogP (cLogP) | Lipinski’s ROF violation | NRB | TPSA (Å2) | Veber’s rule violation |
|---|---|---|---|---|---|---|---|---|---|
| 1 | C20H42O | 298.55 | 1 | 1 | 6.32 | 1 | 13 | 20.23 | 1 |
| 2 | C21H42O2 | 326.56 | 0 | 2 | 6.98 | 1 | 19 | 26.3 | 1 |
| 3 | C21H42O3 | 342.56 | 1 | 3 | 6.03 | 1 | 19 | 46.53 | 1 |
| 4 | C15H32O3 | 260.41 | 3 | 3 | 3.17 | 0 | 12 | 60.69 | 1 |
| 5 | C18H16O7 | 344.32 | 2 | 7 | 2.54 | 0 | 4 | 98.36 | 0 |
| 6 | C10H16O | 152.23 | 0 | 1 | 2.66 | 0 | 5 | 17.07 | 0 |
| 7 | C49H82O6 | 767.17 | 1 | 6 | 10.75 | 2 | 26 | 89.9 | 1 |
| 8 | C28H50O4 | 450.69 | 1 | 4 | 7.24 | 1 | 22 | 55.76 | 1 |
| 9 | C10H8O4 | 192.17 | 1 | 4 | 1.51 | 0 | 1 | 59.67 | 0 |
| 10 | C13H14O5 | 250.25 | 1 | 5 | 1.78 | 0 | 4 | 68.9 | 0 |
| 11 | C47H80O3 | 693.14 | 0 | 3 | 12.01 | 2 | 23 | 43.37 | 1 |
| 12 | C14H18O4 | 250.29 | 0 | 4 | 3.05 | 0 | 8 | 52.6 | 0 |
| CPFX | 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.