Table 3.

Contribution of different parameters to the drug score of M7594_0037 and its derivatives.

Parameters	M7594_0037	3AP-2	NA-2	M-2
Score from cLoP	0.947	0.987/1.0	0.998/1.0	0.986/1.0
Score from logS	0.716	0.917/1.0	0.965/1.0	0.822/1.0
Score from molecular weight	0.795/1.0	0.899/1.0	0.89/1.0	0.734/1.0
Score from drug likeness	0.975/1.0	0.575/1.0	0.744/1.0	0.23/1.0
No risk of mutagenicity	1.0/1.0	1.0/1.0	1.0/1.0	0.6/1.0
No risk of tumorigenicity	1.0/1.0	1.0/1.0	0.6/1.0	0.6/1.0
Risk of irritating effect	1.0/1.0	1.0/1.0	0.8/1.0	1.0/1.0
No risk of reproductive effect	1.0/1.0	1.0/1.0	1.0/1.0	1.0/1.0
Average total drug score	0.740	0.712	0.388	0.173