Chemspace Spiro Fragments Description Spirocyclic fragment - PowerPoint PPT Presentation

Aug 16, 2023 •115 likes •205 views

Chemspace Spiro Fragments Description Spirocyclic fragment contributes both to rigidity and spherical form of the molecule. Moreover, further modification of the rings that are included into the spirosystem expands the molecule in 3D. This

Chemspace Spiro Fragments
Description Spirocyclic fragment contributes both to rigidity and spherical form of the molecule. Moreover, further modification of the rings that are included into the spirosystem expands the molecule in 3D. This enables high diversity of the analogs, both in functional and dimensional senses.
Selection Chemspace Spiro Fragments set consists of small molecules that Are free of PAINS and “toxic” groups • Comply with Ro3 • Possess at least 1 spirocyclic moiety • Library size : 2 466 in-stock compounds 97 977 make-on-demand compounds You can order full set or selected subset based on your criteria; all compounds are supplied as powders, solutions, or dry films. Please contact us at sales@chem-space.com for more information.
PhysChem properties Heavy Atoms TPSA 60 60 50 50 % of compounds % of compounds 40 40 30 30 20 20 10 10 0 0 9 12 15 18 21 24 0 20 40 60 80 100 Fsp 3 Rings 30 60 25 50 % of compounds % of compounds 20 40 15 30 10 20 5 10 0 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1 2 3 4
Chemspace Compound sets Discover our Fragment Libraries : General Fragments Fluorine and Heavy Fragments • • 3D-Shaped Fragments Selected Fragments • • Acid and Amine Fragments Singleton Fragments • • Covalent Fragments Saturated and Spiro Fragments • • All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!
Chemspace Compound sets Discover our Screening compounds : ChEMBL analogs High QED compounds • • CNS-Focused library Phenotypic Screening set • • Covalent Modifiers PPI Modulators • • Drug Impurities Pre-Plated compounds • • Drug Repurposing RNA-Targeted library • • Framework-Derived set Virtual Screening set • • All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!
Thank You! The Chemspace Team

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