Chemspace Saturated Fragments Description With shift from the - PowerPoint PPT Presentation

Apr 30, 2023 •43 likes •113 views

Chemspace Saturated Fragments Description With shift from the highly aromatic/olefinic compounds to the fsp3-enriched ones, toxic properties of the drug candidates have had tendency to lower, and ADMET profiles, in general, have changed

Chemspace Saturated Fragments
Description With shift from the highly aromatic/olefinic compounds to the fsp3-enriched ones, toxic properties of the drug candidates have had tendency to lower, and ADMET profiles, in general, have changed positively. Interest to fsp3-enriched compounds stays at the same level and even grows: the well-known “ Escape from Flatland ” concept has not lost its relevance.
Selection Chemspace Saturated Fragments set consists of small molecules that Are free of PAINS and “toxic” moieties • Comply with Ro3 • Fsp 3 ≥ 0.5 • Number of Rotatable bonds ≤ 1 • Number of Rings ≥ 1 • Library size : 8 238 in-stock compounds 124 263 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 count TPSA 100 100 80 80 % of compounds % of compounds 60 60 40 40 20 20 0 0 9 12 15 18 21 24 0 20 40 60 80 100 Fsp 3 Rings count 80 100 70 80 % of compounds 60 % of compounds 50 60 40 40 30 20 20 10 0 0 0.4 0.5 0.6 0.7 0.8 0.9 1 1 2 3 4 5
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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