Structural characteristics of novel symmetrical diaryl derivatives with nitrogenated functions. Requirements for cytotoxic activity

The variation in Log P and conformational behaviour in a series of symmetrical diaryl derivatives with nitrogenated functions has been studied by molecular modelling techniques. The data allow an initial separation of active and inactive compounds based on Log P values. In addition, it was observed that while the active compounds preferentially have an extended conformation, a certain type of folding takes place in inactive compounds.