Table 2.
Drug likeness parameters of compounds 5–17a
| Compd. no. | Formula | Molecular weight | NHBA | NHBD | LogP | TPSA, Å2 | V, Å3 | DLS |
|---|---|---|---|---|---|---|---|---|
| 5 | C16H14N2O6S | 362.06 | 6 | 5 | –0.57 | 114.29 | 307.29 | –0.73 |
| 6 | C17H16N2O3 | 296.12 | 3 | 4 | 2.76 | 71.87 | 288.83 | –0.16 |
| 7 | C19H18N2O5S | 386.09 | 5 | 5 | 1.40 | 97.61 | 340.44 | –0.19 |
| 8 | C17H16N2O5S | 360.08 | 5 | 4 | 0.72 | 96.76 | 317.25 | –0.66 |
| 9 | C19H18N2O6S | 402.09 | 6 | 4 | 0.24 | 106.48 | 355.56 | –0.17 |
| 10 | C18H17N3O6S | 403.08 | 7 | 4 | –0.53 | 110.07 | 353.50 | –0.27 |
| 11 | C17H16N2O5S | 360.08 | 5 | 4 | 0.82 | 97.63 | 317.22 | –0.57 |
| 12 | C18H18N2O5S | 374.09 | 5 | 4 | 1.34 | 97.63 | 335.12 | –0.69 |
| 14 | C18H18N4O8S | 450.08 | 10 | 5 | –0.74 | 150.24 | 380.77 | –0.79 |
| 15 | C20H22N4O6S | 446.13 | 8 | 3 | 1.18 | 117.64 | 399.55 | –0.60 |
| 16 | C20H20N4O7S | 460.11 | 9 | 3 | 0.04 | 126.10 | 402.62 | –0.23 |
| 17 | C23H18N4O8S | 510.08 | 10 | 5 | 1.01 | 155.40 | 434.50 | 0.06 |
a NHBA is the number of hydrogen bond acceptor centers, NHBD is the number of hydrogen bond donor centers, LogP is the lipophilicity coefficient, TPSA is the topological polar surface area, V is the molecular volume, and DLS is the drug likeness score.