si values

By investigating the correlation of a variety of group descriptors, Craig established that there are a group of non-polar descriptors such as π, molecular volume, parachor, ES and group refractivity that all correlate to a significant extent. By contrast, the various polar descriptors considered did not show appreciable correlations either with the non-polar set or among themselves (confirming earlier findings). By establishing independence of these two types of descriptor, it follows that choosing groups that span a range of π and s would be an effective way to explore SAR. The distribution of substituents by values appropriate for the para position are shown and selection of groups from each quadrant should be considered.

Interdependence between physical parameters and selection of substituent groups for correlation studies. Craig, Paul N.

J. Med. Chem. 1971, 14, 680–684.

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