Table 3.
Calculated molecular properties of SIH1–SIH13.
| Compound | MW a | LogP b | HBD c | HBA d | NRB e | TPSA f | Lipinski’s Violation |
|---|---|---|---|---|---|---|---|
| SIH1 | 395.43 | 2.95 | 1 | 6 | 7 | 106.10 | 0 |
| SIH2 | 437.51 | 3.87 | 1 | 6 | 8 | 106.10 | 0 |
| SIH3 | 423.48 | 3.74 | 1 | 6 | 7 | 106.10 | 0 |
| SIH4 | 411.43 | 2.70 | 1 | 7 | 8 | 115.33 | 0 |
| SIH5 | 460.30 | 3.22 | 1 | 6 | 7 | 106.10 | 0 |
| SIH6 | 415.85 | 3.15 | 1 | 6 | 7 | 106.10 | 0 |
| SIH7 | 507.30 | 3.25 | 1 | 6 | 7 | 106.10 | 1 |
| SIH8 | 450.30 | 3.61 | 1 | 6 | 7 | 106.10 | 0 |
| SIH9 | 426.40 | 1.98 | 1 | 8 | 8 | 151.92 | 0 |
| SIH10 | 426.40 | 2.04 | 1 | 8 | 8 | 151.92 | 0 |
| SIH11 | 438.46 | 2.25 | 2 | 7 | 9 | 135.20 | 0 |
| SIH12 | 457.50 | 3.94 | 1 | 6 | 8 | 106.10 | 0 |
| SIH13 | 432.45 | 2.97 | 1 | 7 | 7 | 118.99 | 0 |
a MW: molecular weight. b LogP: logarithm of n-octanol-water partition coefficient. c HBA: number of hydrogen bond acceptors. d HBD: number of hydrogen bond donors. e NRB: number of rotatable bonds. f TPSA: topological polar surface area.