A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool

Research output: Contribution to journalArticle

Authors

  • Ignacio Colomer
  • Christopher J. Empson
  • Zachary Owen
  • Richard G. Doveston
  • Ian Churcher
  • Stephen P. Marsden
  • Adam Nelson

Colleges, School and Institutes

Abstract

Complementary cyclisation reactions of hex-2-ene-1,6-diamine derivatives were exploited in the synthesis of alternative molecular scaffolds. The value of the synthetic approach was analysed using LLAMA, an open-access computational tool for assessing the lead-likeness and novelty of molecular scaffolds.

Details

Original languageEnglish
Pages (from-to)7209-7212
JournalChemical Communications
Volume52
Issue number45
Early online date5 May 2016
Publication statusE-pub ahead of print - 5 May 2016