The collection currently comprises approximately 300,000 discrete compounds. The design is focused on diversity, novelty and lead-likeness. The collection is very scaffold rich, with 50-100 compounds per scaffold. Compounds are stored as 10 mM DMSO stocks, cold, dry and dark in an inert atmosphere.

iNovacia has a complete process for managing screening compounds, including storage, quality control, cherry picking, formatting and adding of new libraries.

The compound quality is continuously monitored through random sampling and LC-MS, and more than 90% of the compounds have purity greater than 90%.

New proprietary libraries are added regularly, both from in-house parallel chemistry and through our collaboration with Asinex.

The library is filtered to be lead-like not only in the Rule-of-Five sense, but also by the definition of a set of proprietary unwanted motifs. These filters have been developed by experienced medicinal and computational chemists, and address promiscuous fragments, chemically unstable fragments or otherwise unattractive motifs such as PAINS.

Median values for the molecular weight is around 370 Da, number of heavy atoms 26, number of hydrogen bond donors 1, number of hydrogen bond acceptors between 5 and 6, and number of rotatable bonds between 4 and 5.

Synthetic protocols are available for a majority of the compounds. The scaffold-based part of the compound collection, with protocols for parallel chemistry expansion, has been designed for novelty of the scaffolds, with few or no references in SciFinder or Beilstein. Parts of the compounds have been filtered with experimental ADME screening methods, including aqueous and DMSO solubility, PAMPA permeability, PGP binding, chemical stability, hERG binding and CYP binding.