Before it was noticed that compounds tend to grow in molar weight and logP while hit-to-lead optimization, there could have been any compounds on the first stages of drug discovery project. Since first high-throughput screening attempts, numerous rules have emerged that restricted the physicochemical parameters of the molecules screened.
A good starting point is a very important part for any research project: lead-likeness physicochemical criteria enhance the chance for the compound to be a hit – thus, raising the quality of the library.
We selected the in-stock lead-like compounds for Chemspace Lead-Like compounds set. Please discover also the Diversity sets of this library that comprise 5, 10 and 15 thousand of compounds.
| PhysChem Profile | |||
|---|---|---|---|
| Min | Max | Median | |
| 8 | Heavy Atoms count | 30 | 23 |
| 109 | MW | 400 | 330 |
| -2.7 | SlogP | 4.2 | 2.5 |
| 1 | HBA count | 8 | 4 |
| 0 | HBD count | 4 | 1 |
| 0 | RB count | 10 | 5 |
| 0.0 | fsp3 | 1.0 | 0.4 |
| 3 | TPSA | 179 | 66 |
| 0 | Rings count | 8 | 3 |
