R-logic dialog

In R-logic dialog, you can set the number of the R-sites to be occupied in Occurrence field. If the RestH condition is set for an R-group, that means that the hit molecules do not contain ligands on that atom other than hydrogen or those specified as R-group.

R-logic dialog is available via Empty space, R-group definition context menu and also by right-clicking on R-group label in the scaffold structure.


Valid values for Occurrence:

  • Exact number, e.g. 2

  • Less than (>) + number, e.g. <4

  • Greater than (<) + number, e.g. >1

  • Range, e.g. 2-3