Beyond the Flatland Library sp3 enriched
ChemDiv’s Beyond the Flatland Library contains 87,621 compounds.<br>
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“Escape from Flatland” – New Approach for Scaffold & Library Design. Fsp3 = number of sp3-hybridized carbons/ total carbon count.<br>
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The increase of scaffold/molecule saturation leads to:<br>
• More diverse set of compounds<br>
• More highly complex molecules<br>
• Natural product-likeness<br>
• Access to greater chemical space<br>
• Better complement to the spatial subtleties of target proteins<br>
• 3D-dimensionality may result in greater selectivity<br>
• Higher water solubility<br>
• Better phys-chemical parameters (logP and PSA)<br>
• Very low increase of MW<br>
• New stereo-centers<br>
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As result: Faster transition of compound from discovery to drugs.