Table 1.
Mean physicochemical properties of fragment collections.
| Property[a] | Ideal range[b] |
This work |
Maybridge “Ro3” core collection |
Chembridge |
|---|---|---|---|---|
| SlogP | 0–3 | 1.37 | 1.92 | 1.31 |
| M W | <300 | 237 | 182 | 222 |
| HBA | <3 | 2.63 | 1.83 | 1.81 |
| HBD | <3 | 0.78 | 1.01 | 1.04 |
| chiral centres | – | 1.10 | 0.14 | 0.27 |
| fraction Ar | – | 0.29 | 0.52 | 0.42 |
[a] M W=molecular weight, HBA=number of hydrogen bond acceptors, HBD=number of hydrogen bond donors. [b] Ideal range based on guidelines of Fragment “rule of three”.37 Green=inside ideal range. Yellow=extreme of ideal range.