sp3 Rich Fragment Library
The world-largest and most diverse
50 272 compounds
Since 2000s, when the “Escape from Flatland” concept implying increase of saturation degree (Fsp3) and presence of chiral centers was introduced, numerous medicinal chemistry projects involving design and screening of sp3-enriched structures have appeared.
sp3 rich Fragments have been selected from Enamine Screening & Building Blocks Collections by applying strict Ro3 criteria, with Fsp3 cutoff at 0.47, and standard industry affiliated filters including PAINS. The final set of compounds has been evaluated to exclude simple reagents and trivial chemotypes resulting in a library of over 50 272 small molecules available for cherry-picking. Since the fragments with aromatic moieties are believed to demonstrate improved hit rate in screening, the set was enriched with compounds having the optimal Fsp3 values (0.47–0.75).
Novelty, high chemical and structural diversity of Enamine's sp3 rich fragments will make more efficient any search of new ligands for challenging targets.