QikProp

QikProp provides rapid predictions for physically-significant descriptors and pharmaceutically-relevant properties of neutral organic molecules. Accurate predictions are made for free energies of solvation in hexadecane, octanol, and water, octanol/water partition coefficient (log P), aqueous solubility (log S), and Caco-2 cell permeabilty. Results for libraries of compounds are output in a format ready for facile incorporation into spreadsheet and QSAR programs.