Assessment of drug-like properties of the lead molecules and fumarate as verified by Qikprop (Schrodinger 9.0).

aLigand IDs are of the Maybridge, NCI, FDA ligand databases. bMolecular weight (<500 Da). cHydrogen bond donors (<5). dHydrogen bond acceptors (<10). ePredicted octanol/water partition co-efficient log p (recommended range: −2.0 to 6.5). fPredicted aqueous solubility; S in mol/L (acceptable range: −6.5 to 0.5). gPredicted IC50 value for blockage of HERG K+ channels (acceptable range: above −5.0). hPredicted Caco-2 cell permeability in nm/s (acceptable range: 25 is poor and .500 is great). iPercentage of human oral absorption (<25% is poor and >80% is high). jPrediction of binding to human serum albumin (acceptable range: −1.5 to 1.5).