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Prediction of physicochemical properties of CA-4, 9i, and 9pa.
| Compounds | cLogP | TPSA | Natoms | MW | HBA | HBD |
|---|---|---|---|---|---|---|
| Standard | < 5 | < 140 | < 500 | < 10 | < 5 | |
| CA-4 | 3.32 | 57.15 | 43 | 316.35 | 4 | 1 |
| 10i | 4.11 | 72.75 | 52 | 406.44 | 6 | 1 |
| 10t | 4.76 | 55.32 | 51 | 399.45 | 5 | 1 |
cLogP: calculated logarithm of the octanol-water partition coefficient; TPSA: topological polar surface area; Natoms: No. of atoms; MW: molecular weight; HBA: hydrogen-bond acceptor atoms; HBD: hydrogen-bond donor atoms.
