Table 3.
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.