Table 1 Calculations of molecular properties of oseltamivir and lead compound using Molinspiration
S. No | Compounds | miLogP | MW | nON | nOHNH | nrotb | nviolations |
|---|---|---|---|---|---|---|---|
1 | Oseltamivir | 0.852 | 315.38 | 6 | 3 | 8 | 0 |
2 | Neoglucobrassicin | -3.619 | 477.493 | 10 | 3 | 8 | 0 |
3 | Acanthoglabrolide | 3.502 | 418.486 | 7 | 0 | 7 | 0 |
4 | Epifriedelanol Acetate | 8.556 | 470.782 | 2 | 0 | 2 | 1 |
5 | g-strophanthin | -2.178 | 584.659 | 12 | 8 | 4 | 3 |
6 | Allyl Propyl disulfide | 2.86 | 148.296 | 0 | 0 | 5 | 0 |
7 | Allyl monosulfide | 2.127 | 114.213 | 0 | 0 | 4 | 0 |
8 | Strictinin | 0.312 | 634.455 | 18 | 11 | 3 | 3 |
9 | Strophanthin | -1.421 | 726.813 | 15 | 7 | 8 | 3 |
10 | Acanthoside | -1.475 | 742.724 | 18 | 8 | 12 | 3 |