Calculated physicochemical propertiesa.
| Compound no. | MW | n HD | n HA | Log P | Lipinski's rule | Log S | QED |
|---|---|---|---|---|---|---|---|
| 3 | 270.15 | 1 | 5 | 2.581 | Accepted | −4.048 | 0.672 |
| 4 | 359.17 | 1 | 6 | 3.551 | Accepted | −4.453 | 0.358 |
| 5a | 365.19 | 4 | 7 | 2.807 | Accepted | −4.213 | 0.24 |
| 5b | 415.2 | 4 | 7 | 3.715 | Accepted | −4.814 | 0.189 |
| 5c | 476.22 | 3 | 6 | 5.432 | Accepted | −6.462 | 0.102 |
| 5d | 424.17 | 3 | 6 | 4.451 | Accepted | −5.031 | 0.243 |
| 6 | 419.17 | 2 | 10 | 4.926 | Accepted | −6.068 | 0.402 |
Where; MW, molecular weight; nHA, number of hydrogen bond acceptor; nHD, number of hydrogen bond donor; log S, logarithm of aqueous solubility value, log P, logarithm of the n-octanol/water distribution coefficient; QED, a measure of drug-likeness based on the concept of desirability.