50K Virtual Diversity Library

Cat. No. : CS-L910 (50,000 compounds)
Library Contents: PDF | SDF

MCE 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

Size (Pre-dissolved DMSO or Solid) Stock Price
30 μL/well (10 mM solution) In-stock Get quote
50 μL/well (10 mM solution) In-stock Get quote
100 μL/well (10 mM solution) In-stock Get quote
250 μL/well (10 mM solution) In-stock Get quote
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  • Data Sheet

  • Description & Advantages

  • Composition

  • Contents

Formulation:50,000个新颖的类药多样性化合物集合。库中化合物1-2步反应可合成。适于新型先导物发现等。
Container:
Storage:-80°C
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MCE 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

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