Tool for lipophilicity determination in drug discovery basic and neutral compounds

A method of determining ElogDoct for chemical compounds which comprises:

• a. Introducing said chemical compounds seriatim to the column of a reverse phase high performance liquid chromatographic system said column being an embedded amide functional group column;
• or a C-18 bonded column with low silanol activity;
• and
• b. Eluting said compounds with a mobile phase containing MOPS buffer and a methanol/octanol mixture in which the proportions of said methanol/octanol mixture to said buffer are from 75 to 15% v/v;
• and with flow rates between 0.5 and 3 ml/min and
• c. Measuring the retention time required to elute each sample from said column;
• and
• d. Calculating ElogDoct from the retention time of each sample using equation 1:
• logDoct=1.1267 (±0.0233) log k′w+0.2075 (±0.0430) (Eq. 1).