Physicochemical properties of MKIs
Data calculated using ChemBioDraw Ultra 13.0 Suite (PerkinElmer).
| MKI | Molecular Weight | cLogP | PSA | Rotatable Bonds | H-Bond Donors | H-Bond Acceptors |
|---|---|---|---|---|---|---|
| Sorafenib | 464.8 | 5.46 | 91.8 | 5 | 3 | 7 |
| Gefitinib | 446.9 | 5.45 | 67.7 | 7 | 1 | 7 |
| Bosutinib | 530.5 | 4.94 | 82.4 | 9 | 1 | 8 |
| Erlotinib | 393.4 | 4.19 | 73.7 | 9 | 1 | 7 |
| Lapatinib | 581.1 | 6.05 | 101.4 | 10 | 2 | 8 |
| Vandetanib | 475.4 | 5.69 | 58.5 | 5 | 1 | 6 |
| Pelitinib | 467.9 | 5.14 | 89.8 | 8 | 2 | 7 |
| Nilotinib | 529.5 | 5.69 | 93.8 | 7 | 2 | 8 |
| Afatinib | 485.9 | 4.34 | 87.6 | 7 | 2 | 8 |
| Neratinib | 557.1 | 5.00 | 111.3 | 11 | 2 | 9 |
| Sunitinib | 398.5 | 3.00 | 73.5 | 7 | 3 | 6 |
| Cediranib | 450.5 | 5.28 | 67.7 | 8 | 1 | 7 |
| Foretanib | 632.7 | 5.57 | 110.7 | 12 | 2 | 10 |
| N′-Desmethylsorafenib | 450.8 | 5.14 | 105.8 | 5 | 4 | 7 |
| Sorafenib N-oxide | 480.1 | 3.34 | 114.2 | 5 | 3 | 8 |
| N′-Desmethylsorafenib N-oxide | 466.8 | 3.08 | 128.2 | 5 | 4 | 8 |
| N′-Hydroxymethylsorafenib | 480.1 | 4.92 | 112.1 | 7 | 4 | 8 |
| N′-Hydroxymethylsorafenib N-oxide | 496.8 | 2.81 | 134.4 | 7 | 4 | 9 |