Scientific community studying medical chemicals has become increasingly aware of the value of the physical and structural properties of molecules. It is now known that the molecules which follow Lipinski's rule of five are more likely to appear biologically active. Other thresholds for properties were also proposed, for example, topological polar surface area and rotatable bonds number. Following the work of Frank Lovering et al. "Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success", which discovers saturation of chemical compounds as the measure of the likelihood of compounds to be biologically active, we created a library which comprises known thresholds of medical compounds and also contains highly saturated compounds.
Reaxense's Fsp3-enriched Compound Library comprises 37,312 small molecules of non-flat drug-like screening compounds with a higher potential for biological activity.
- 37,312 sp3-enriched compounds
- High diversity over the library
- Purity >90%; spectral data available
- TPSA (Topological Polar Surface Area)<140
- Rotatable bonds count<=10
- Fsp3 > 0.4
- Lipinski's rule of five compliant (one restriction can be violated)
Product sheet with detailed description is available in PDF format
This library is available in structure-data file format (SDF) or other common formats such as XLS, CSV, PDF. Please contact us to obtain this library as well as information on price and delivery.