Targeting Protein-Protein Interactions is a promising strategy since PPIs are involved in numerous cell processes – and, therefore, various diseases may be associated with them. As promising as difficult the PPI studying and targeting is.
Regarding this complexity, we aimed to create the PPI modulators library of large, but not “greasy” molecules that accord with the “Rule of 4” for iPPI and, moreover, included compounds possess functional groups that interact with important Arg, Trp, Tyr residues.
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| PhysChem Profile | |||
|---|---|---|---|
| Min | Max | Median | |
| 25 | Heavy Atoms count | 44 | 31 |
| 341 | MW | 593 | 436 |
| 0.9 | SlogP | 6.9 | 3.7 |
| 1 | HBA count | 10 | 5 |
| 0 | HBD count | 5 | 1 |
| 2 | RB count | 11 | 5 |
| 0.0 | fsp3 | 0.8 | 0.3 |
| 50 | TPSA | 154 | 79 |
| 3 | Rings count | 7 | 4 |
