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. 2021 May 18;11:10471. doi: 10.1038/s41598-021-90035-7

Table 3.

Physico-chemical parameters and antimicrobial activities of compounds 21 to 24, and 26 to 3312.

Compounds CLogPa ACD/LogPb LogD7.40b MIC (μM)c
MRSA 6975 MRSA 630 MRSA 6205
28 1.83 3.27 3.04 140.2 280.4d 280.4d
29 3.68 4.60 4.38 36.2 144.6 72.3
30 3.28 4.27 4.05 19.4 155.2 77.6
31 3.91 4.67 4.46 32.9 263.2 263.2
32 4.47 6.10 5.76 18.9 151.5 151.5
33 4.47 5.63 5.29 37.9 151.5 151.5
23 4.22 5.18 4.96 17.6 35.2 35.2
27 5.78 6.72 6.51 18.8 37.7 37.7
21 5.68 6.54 6.32 17.6 8.8 8.8
22 6.01 6.61 6.39 17.1 17.1 8.5
26 6.38 7.32 7.12 4.9 9.8 4.9
24 5.15 6.25 5.97 8.8 8.8 17.6

aThe CLogP values were calculated using software ChemBioDraw Ultra 12.0.

bThe ACD/Log P and LogD7.40 values were calculated using software ACD/Labs 6.0.

cMIC, minimum inhibitory concentration; MRSA 6975, methicillin-resistant Staphylococcus aureus 6975; MRSA 630, methicillin-resistant Staphylococcus aureus 630; MRSA 6205, methicillin-resistant Staphylococcus aureus 6205.

dThe MICs of compound 28 against MRSA 630 and 6205 were more than 64 μg/mL (140.2 μM). As microdilution broth method was used to test MIC and the three physico-chemical parameters were small, we set 128 μg/mL (280.4 μM) as their MICs.