Research Article
3D-QSAR Study of the Chalcone Derivatives as Anticancer Agents
Table 8
Lipinski’s rule of newly designed inhibitors and the most potent inhibitor in the dataset.
| | Compounds | Property | Lipinski violations | | Log P | H-bond acceptor | H-bond donor | Rotatable bonds | Molecular weight (g/mol) |
| | Rule | <5 | ≤10 | <5 | <10 | ≤500 | ≤1 | | M17 | 4.57 | 4 | 2 | 6 | 417.49 | 0 | | 1 | 3.23 | 8 | 5 | 9 | 639.30 | 1 | | 2 | 3.89 | 8 | 5 | 9 | 673.97 | 1 | | 3 | 3.13 | 8 | 5 | 9 | 595.08 | 1 | | 4 | 3.90 | 9 | 5 | 10 | 733.44 | 2 | | 5 | 3.23 | 8 | 5 | 9 | 639.53 | 1 | | 6 | 4.77 | 8 | 5 | 9 | 811.35 | 1 | | 7 | 4.77 | 8 | 5 | 9 | 811.35 | 1 | | 8 | 4.26 | 8 | 5 | 10 | 732.45 | 2 | | 9 | 4.95 | 8 | 5 | 9 | 712.44 | 1 | | 10 | 2.47 | 8 | 5 | 9 | 560.63 | 1 |
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