Table 2 Lipinski rule of 5 (RO5) properties predictions of 5 compounds
From: Thalidomide-based inhibitor for TNF-α: designing and Insilico evaluation
Ligand | Log P | TPSA | nAtoms | MW | HBA | HBD | NROTB | MV | nviolation |
|---|---|---|---|---|---|---|---|---|---|
Thalidomide | 0.34 | 85.25 | 19 | 258.23 | 6 | 1 | 1 | 213.91 | 0 |
SPD-304 | 6.36 | 41.62 | 40 | 547.62 | 5 | 0 | 9 | 491.08 | 2 |
S1 | − 0.61 | 92.34 | 20 | 272.26 | 6 | 2 | 2 | 230.36 | 0 |
S2 | − 3.92 | 155.66 | 23 | 319.27 | 9 | 5 | 2 | 258.08 | 0 |
S3 | 0.02 | 75.60 | 19 | 256.26 | 5 | 1 | 1 | 222.21 | 0 |
S4 | − 0.95 | 135.59 | 26 | 350.33 | 8 | 5 | 2 | 291.10 | 0 |
S5 | − 1.84 | 106.33 | 21 | 286.29 | 6 | 3 | 2 | 246.07 | 0 |