Calculated properties of compounds tested in the present study
Name | mol. wt. | cLogP | Number of HBD | Number of HBA | vdw Volume |
|---|---|---|---|---|---|
| Compound A | 366.5 | 3.4 | 0 | 4 | 511 |
| Compound B | 456.5 | 3.1 | 1 | 8 | 609 |
| Compound C | 350.3 | 0.9 | 1 | 5 | 433 |
| Compound D | 373.4 | 2.6 | 1 | 4 | 477 |
| Compound E | 400.4 | 2.2 | 1 | 7 | 531 |
| Compound F | 400.4 | 2.0 | 1 | 7 | 531 |
| Compound G | 418.4 | 2.2 | 1 | 7 | 534 |
| Compound H | 388.4 | 2.3 | 2 | 7 | 510 |
| Compound I | 424.4 | 2.2 | 1 | 7 | 519 |
| Compound J | 388.4 | 1.7 | 1 | 7 | 512 |
| Compound K | 388.4 | 1.7 | 1 | 7 | 512 |
| Compound L | 390.4 | 3.3 | 2 | 5 | 500 |
| Compound M | 388.4 | 1.7 | 1 | 7 | 512 |
| Compound N | 388.4 | 1.7 | 1 | 7 | 512 |
| Compound O | 406.4 | 2.0 | 1 | 7 | 515 |
| Compound P | 406.4 | 2.0 | 1 | 7 | 515 |
| Compound Q | 433.6 | 3.9 | 1 | 5 | 633 |
| Compound R | 449.6 | 2.7 | 2 | 6 | 641 |
| Compound S | 366.4 | 2.6 | 2 | 5 | 465 |
| Compount T | 396.4 | 3.7 | 1 | 6 | 532 |
cLogP, calculated logP; HBD, hydrogen-bond donor; HBA, hydrogen-bond acceptor; vdw volume, van der Waals volume