TABLE 2.

QSAR analysis, best correlations, and used descriptors of the regression analysis

Antimicrobial activityr2F valuer2 (cv)Descriptors
All compounds
    Log(1/MICE. coli)0.708.230.28Kier flexibility, NNmin
    Log(1/MICS. aureus)0.697.840.33Avg structural information content (order 2), relative no. of rings
    Log(1/ENC50)0.728.810.36Avg information content (order 1), no. of O atoms
Only compounds 1-7
    Log(1/MICE. coli)0.9326.50.78NNmin, ZX shadow
    Log(1/MICS. aureus)0.9650.00.92Avg information content (order 2), ZX shadow/ZX rectangle
    Log(1/ENC50)0.9888.60.92YZ shadow/YZ rectangle, Balaban index