– Use the KOWWIN package (follow instructions in guidance document) to obtain a predicted value for the logarithm of the octanol:water partition coefficient (log P) for your drug. If it is available, record the measured / experimental log P for the drug.
– Use the WSKOW package (follow instructions in guidance document) to obtain a predicted logarithm of the aqueous solubility (log S) for your drug. If it is available record the measured / experimental log S.
Briefly state which amendments you could make to your drug’s structure to (a) increase its aqueous solubility and (b) decrease its aqueous solubility. You can try amending the SMILES string for your drug as appropriate and checking to see if the modifications have successfully increased or decreased the aqueous solubility.