In contrast, most 3-run grandchildren predicted a more compact scaffold with 5 rings of top-grandchild 21422 with affinities of ~ 7.1 nM, docking to similar but not exact AB cavities than 4670 (Figure , red sticks).Four of the rings were together and displaying six oxygens which may contribute to lowering its LogP to 2.7 (Table ). The important interactions with 115 R with both A and B chains predicting two Hydrogen bonds were also found for 21422 (Figure , 21422 right).