Table 9.
Drug-likeness predictions of isolated compounds computed by SwissADME.
| Ligand | Formula | MWT (g/mol) | NRB | NHA | NHD | TPSA (Å2) | Log P | Lipinski's rule of five |
|---|---|---|---|---|---|---|---|---|
| 3 | C29H48O | 412.7 | 5 | 1 | 1 | 20.2 | 7.0 | 1 |
| 4 | C29H50O | 414.7 | 6 | 1 | 1 | 20.2 | 6.73 | 1 |
| 5 | C40H40O12 | 712.7 | 17 | 12 | 3 | 159.4 | 5.4 | 2 |
| 6 | C40H42O13 | 730.8 | 20 | 13 | 4 | 179.4 | 5.3 | 2 |
| Ciprofloxacin | C17H18FN3O3 | 331.3 | 3 | 5 | 2 | 74.6 | −1.1 | 0 |
| Abiraterone | C24H31NO | 349.5 | 1 | 2 | 1 | 33.1 | 4.4 | 1 (MLogP > 4.15) |
Note. MWT: molecular weight; NRB: number of rotatable bonds; NHA: number of hydrogen acceptors; NHD: number of hydrogen donors; TPSA: total polar surface area.