The fragment-based approach has emerged as an alternative to the “traditional” lead-oriented discovery. It has been noticed that until the compound passes clinical approval, it would hardly fit the Lipinski rules, not to say about the Ro4. Thus, stricter rules have been proposed – first of all, to increase the potential quality of the obtained hit. At the same time, a small library could cover a relatively high area of chemical space since the final drug could be a combination of several fragments.
Our General Fragments library consists of small molecules that accord with the Rule of 3, contain no PAINS, and are filtered from toxic/highly reactive compounds by the in-house filters. Please see also our Covalent Fragments library which goes beyond the General set.
Fragments are widely used in various, sometimes very specific, research projects. Discover Chemspace fragments subsets that can be applicable in NMR-assisted and RSA-assisted screening.
For any questions contact us at sales@chem-space.com
| PhysChem Profile | |||
|---|---|---|---|
| Min | Max | Median | |
| 8 | Heavy Atoms count | 22 | 19 |
| 109 | MW | 300 | 271 |
| -1.4 | SlogP | 3.0 | 2.1 |
| 1 | HBA count | 3 | 3 |
| 0 | HBD count | 3 | 1 |
| 0 | RB count | 3 | 3 |
| 0.0 | fsp3 | 1.0 | 0.5 |
| 3 | TPSA | 113 | 52 |
| 0 | Rings count | 6 | 2 |
