Table 7. Predicted Drug-Like Property Profile of the Candidate Compounds.
| entry | TPSA(Å2) | n-ROTB | MW (Da) | WLog P | n-HBA | n-HBD | Lipinski’s violations | Veber violations | Egan violation | bioavailability score | SA | ||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| rule | ABS | <140 | <10 | <500 | ≤5 | <10 | <5 | <2 | <2 | <2 | F > 0.1 | pains | 0 < SA < 10 |
| H01 | high | 89.25 | 1 | 256.26 | 2.09 | 4 | 1 | 0 | 0 | 0 | 0.56 | 0 | 3.92 |
| H06 | high | 76.11 | 1 | 300.74 | 3.15 | 3 | 1 | 0 | 0 | 0 | 0.56 | 0 | 3.77 |
| H12 | high | 78.62 | 4 | 347.79 | 3.19 | 4 | 1 | 0 | 0 | 0 | 0.56 | 0 | 4.09 |
| H18 | high | 70.32 | 1 | 301.72 | 3.75 | 4 | 1 | 0 | 0 | 0 | 0.85 | 0 | 3.62 |
| H20 | high | 101.07 | 4 | 320.36 | 3.20 | 5 | 1 | 0 | 0 | 0 | 0.56 | 0 | 4.01 |
| H21 | high | 72.83 | 4 | 314.33 | 3.14 | 5 | 1 | 0 | 0 | 0 | 0.85 | 0 | 3.96 |
| H24 | high | 72.83 | 4 | 348.78 | 3.79 | 5 | 1 | 0 | 0 | 0 | 0.85 | 0 | 3.92 |
| H30 | high | 73.98 | 1 | 298.72 | 3.50 | 4 | 1 | 0 | 0 | 0 | 0.55 | 0 | 2.59 |
| H31 | high | 89.63 | 4 | 301.29 | 2.74 | 6 | 1 | 0 | 0 | 0 | 0.55 | 0 | 3.08 |
| H32 | high | 104.73 | 4 | 317.36 | 3.21 | 5 | 1 | 0 | 0 | 0 | 0.55 | 0 | 3.04 |
| H36 | high | 76.49 | 4 | 345.78 | 3.80 | 5 | 1 | 0 | 0 | 0 | 0.55 | 0 | 2.95 |