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. 2025 Aug 21;15(36):29544–29559. doi: 10.1039/d5ra04955e

Table 1. Physicochemical properties of the synthesized compoundsa.

Compound Mi Log P TPSA n-atoms M.W. nON nOHNH n-violations n-rotb Volume
1 1.96 115.72 28 378.38 7 4 0 3 325.43
2 2.74 141.72 32 438.44 9 4 0 7 307.00
6 4.49 98.36 34 458.51 7 1 0 1 405.63
a

Abbreviations: Mi log P, logarithm of partition coefficient of compound between n-octanol and water; MV, molecular volume; MW, molecular weight; n atoms, number of atoms; n-ON acceptors, number of hydrogen bond acceptors; n-OHNH donors, number of hydrogen bonds donors; n rotb, number ofroutable bonds; n violations, number of violations; TPSA, topological polar surface area.