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. 2024 Jun 21;15(8):2745–2765. doi: 10.1039/d4md00270a

Log P values and other calculated physicochemical parameters using SwissADME for the synthesized compounds.

Compounds Log P (mean ± % rsd) H-bonds PSA (Å2)
CA1 (MW = 346 g mol−1) 2.25 ± 0.03 H-donors = 1 90.02
H-acceptors = 5
CA2 (MW = 362.34 g mol−1) 2.02 ± 0.08 H-donors = 2 110.25
H-acceptors = 6
CA3 (MW = 405.36 g mol−1) 1.90 ± 0.04 H-donors = 1 135.84
H-acceptors = 7
CA4 (MW = 392.36 g mol−1) 1.95 ± 0.03 H-donors = 2 119.48
H-acceptors = 7
CA5 (MW = 418.40 g mol−1) 2.65 ± 0.03 H-donors = 2 119.48
H-acceptors = 7
CE1 (MW = 347.32 g mol−1) 2.38 ± 0.05 H-donors = 0 87.22
H-acceptors = 6
CE2 (MW = 363.32 g mol−1) 2.65 ± 0.07 H-donors = 1 107.45
H-acceptors = 7
CE3 (MW = 406.35 g mol−1) 2.41 ± 0.06 H-donors = 0 133.04
H-acceptors = 8
CE4 (MW = 393.35 g mol−1) 2.61 ± 0.06 H-donors = 1 116.68
H-acceptors = 8
CE5 (MW = 419.39 g mol−1) 2.64 ± 0.10 H-donors = 1 116.68
H-acceptors = 8
PA1 (MW = 370.40 g mol−1) 4.21 ± 0.06 H-donors = 1 69.04
H-acceptors = 4
PA2 (MW = 386.40 g mol−1) NDa H-donors = 2 89.27
H-acceptors = 5
PA3 (MW = 420.43 g mol−1) 3.76 ± 0.25 H-donors = 1 114.86
H-acceptors = 6
PA4 (MW = 416.43 g mol−1) 4.26 ± 0.07 H-donors = 2 98.50
H-acceptors = 6
PA5 (MW = 442.47 g mol−1) 4.44 ± 0.08 H-donors = 2 98.5
H-acceptors = 6
PE1 (MW = 371.39 g mol−1) 5.19 ± 0.25 H-donors = 0 66.24
H-acceptors = 5
PE2 (MW = 387.39 g mol−1) 5.18 ± 0.29 H-donors = 1 86.47
H-acceptors = 6
PE3 (MW = 430.41 g mol−1) 4.29 ± 1.35 H-donors = 0 112.06
H-acceptors = 7
PE4 (MW = 417.41 g mol−1) 4.47 ± 0.16 H-donors = 1 95.70
H-acceptors = 7
PE5 (MW = 443.45 g mol−1) 4.92 ± 0.12 H-donors = 1 95.70
H-acceptors = 7
a

Not determined.