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Selected calculated physicochemical and pharmacokinetic properties of 17g, 18c and 18f from SwissADME free webtool [37].
| Product | 17g | 18c | 18f |
|---|---|---|---|
| MW | 433.28 | 403.41 | 392.86 |
| Rotatable bonds | 7 | 8 | 7 |
| H-bond acceptors | 4 | 6 | 4 |
| H-bond donors | 3 | 3 | 3 |
| MR | 102.11 | 103.16 | 99.35 |
| TPSA | 129.25 | 175.07 | 129.25 |
| iLogP | 1.77 | 1.60 | 2.62 |
| GI absorption | High | Low | High |
| BBB permeant | No | No | No |
| P-gp substrate | No | Yes | Yes |
