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 (cHydrogen bond donors (dHydrogen bond acceptors (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 (80% is high).jPrediction of binding to human serum albumin (acceptable range: −1.5 to 1.5).