Synthesis, Antimicrobial, and Anticancer Activities of Novel Nitrofuran Derivatives

Table 3

Drug-like properties of the most potent hybrids 3 and 6 obtained from QikProp.

Properties	Permissible ranges	3	6
#stars	(0–5)	0	0
#amide	(0-1)	0	0
#rotor	(0–15)	3	6
#rtvFG	(0–2)	1	1
mol_MW	(130–725)	239.233	396.405
SASA	(300–1000)	479.921	711.627
FOSA	(0–750)	24.431	267.141
FISA	(7–330)	99.275	167.889
PISA	(0–450)	356.215	276.597
WPSA	(0–175)	0	0
donorHB	(0–6)	1	0
accptHB	(2–20)	5.5	11
QPlogPo/w	(−2–6.5)	1.672	0.168
QPPCaco	(<25 poor, >500 great)	1133.639	15.762
CIQPlogS	−6.5–0.5	−2.8	−0.527
QPlogBB	−3.0–1.2	−0.518	−0.811
QPPMDCK	<25 poor >500 great	566.54	6.822
#metab	(1–8)	2	4
QPlogKhsa	−1.5–1.5	−0.392	−0.965
Human oral absorption	1, 2, or 3 for low, medium, or high	3	2
Percent human oral absorption	>80% is high	91.404	49.365
PSA	7–200	75.305	116.317
Rule of five	Maximum is 4	0	0
Rule of three	Maximum is 3	0	1