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Flexibility properties of compounds 1a–c and 9a–c, selected as representative of the whole library of derivatives, calculated through FAFDrugs4 webtool.
| CPD | Structure | Flexibility | Rotable bonds (#) | Rigid bonds (#) |
|---|---|---|---|---|
| 1a |
|
0.30 | 6 | 14 |
| 1b |
|
0.24 | 5 | 16 |
| 1c |
|
0.13 | 3 | 20 |
| 9a |
|
0.50 | 8 | 8 |
| 9b |
|
0.41 | 7 | 10 |
| 9c |
|
0.26 | 5 | 14 |
