TABLE 4

Physicochemical properties of MKIs

Data calculated using ChemBioDraw Ultra 13.0 Suite (PerkinElmer).

MKIMolecular
WeightcLogPPSARotatable
BondsH-Bond
DonorsH-Bond
Acceptors
Sorafenib464.85.4691.8537
Gefitinib446.95.4567.7717
Bosutinib530.54.9482.4918
Erlotinib393.44.1973.7917
Lapatinib581.16.05101.41028
Vandetanib475.45.6958.5516
Pelitinib467.95.1489.8827
Nilotinib529.55.6993.8728
Afatinib485.94.3487.6728
Neratinib557.15.00111.31129
Sunitinib398.53.0073.5736
Cediranib450.55.2867.7817
Foretanib632.75.57110.712210
N′-Desmethylsorafenib450.85.14105.8547
Sorafenib N-oxide480.13.34114.2538
N′-Desmethylsorafenib N-oxide466.83.08128.2548
N′-Hydroxymethylsorafenib480.14.92112.1748
N′-Hydroxymethylsorafenib N-oxide496.82.81134.4749