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Sterimol Tool

Tony Schaefer edited this page Apr 5, 2021 · 4 revisions

This tool can be used to calculate the L, B1, B2, B3, B4, and B5 Sterimol parameter values. An overview of steric parameters, including the Sterimol parameters, can be found in Nature Chem 2012 4, 366–374. Optionally, vectors and van der Waals spheres can be drawn to help visualize these parameters.

To calculate the Sterimol parameters, select a substituent (fragment with only one bond to the rest of the molecule), and click 'calculate parameters'.

Parameters can be exported in CSV format to your clipboard or to a CSV file.