. 2025 Apr 28;15:14752. doi: 10.1038/s41598-025-98645-1

Table 5.

Display the relative ADMET profiles of synthesized compounds (3a-j, 4a-e and 5a-b) and standard drug (Fluconazole).

Comp.	BBB^a		Caco2^b		HIA^c		HOB^d		Carcinogens		EI^e		AMES		Biodegradable		AOT^f
Comp.	Val	Prob	Val	Prob	Val	Prob	Val	Prob	Val	Prob	Val	Prob	Val	Prob	Val	Prob	Prob
3a	+	0.99	+	0.83	+	1.00	+	0.66	-	0.59	-	0.95	-	0.87	-	0.99	0.74
3b	+	0.99	+	0.68	+	1.00	-	0.57	-	0.87	-	0.94	+	0.52	-	0.98	0.68
3c	+	0.99	+	0.69	+	1.00	+	0.65	-	0.91	-	0.94	-	0.63	-	0.96	0.70
3d	+	0.89	+	0.75	+	1.00	+	0.80	-	0.84	-	0.98	-	0.65	--	0.96	0.81
3e	+	0.91	+	0.70	+	1.00	+	0.86	-	0.80	-	0.98	-	0.82	-	0.96	0.81
3f	+	0.95	+	0.75	+	0.99	+	0.79	-	0.89	-	0.95	+	0.54	-	0.84	0.63
3g	+	0.95	+	0.67	+	1.00	+	0.58	-	0.94	-	0.97	+	0.63	-	0.96	0.58
3h	+	0.98	+	0.57	+	1.00	-	0.68	-	0.90	-	0.96	+	0.79	-	0.96	0.79
3i	+	0.98	+	0.59	+	1.00	-	0.65	-	0.89	-	0.95	-	0.53	-	0.83	0.62
3j	+	0.98	-	0.54	+	1.00	-	0.51	-	0.90	-	0.97	+	0.52	-	0.79	0.63
4a	+	0.68	-	0.56	+	0.99	-	0.68	-	0.73	-	0.97	-	0.61	-	1.00	0.60
4b	+	0.78	-	0.57	+	0.99	-	0.60	-	0.72	-	0.99	-	0.64	-	1.00	0.60
4c	+	0.94	-	0.59	+	1.00	-	0.80	-	0.78	-	0.97	-	0.65	-	1.00	0.74
4d	+	0.94	-	0.61	+	0.99	-	0.76	-	0.77	-	0.97	-	0.72	-	0.99	0.70
4e	+	0.95	-	0.61	+	0.98	-	0.71	-	0.80	-	0.98	-	0.59	-	1.00	0.64
5a	+	0.54	-	0.54	+	0.99	-	0.64	-	0.73	-	0.95	-	060	-	1.00	0.58
5b	+	0.64	-	0.54	+	0.98	-	0.64	-	0.74	-	0.97	-	0.60	-	1.00	0.57
R64	+	0.95	+	0.64	+	1.00	-	0.73	-	0.92	+	0.55	-	0.69	-	0.98	0.63
18 H	+	0.89	+	0.72	+	0.99	-	0.67	-	0.91	-	0.93	+	0.50	-	1.00	0.71
Fluc.*	+	0.93	+	0.88	+	0.98	-	0.87	-	0.72	-	0.82	-	0.54	-	1.00	0.79

^aBBB = Blood-Brain Barrier.

^bCaco2 = Caco-2 permeability.

^cHIA = Human intestinal absorption.

^dHOB = Human oral bioavailability.

^eEI = Eye irritation.

^fAOB = Acute oral bioavailability.

*Fluc. = Fluconazole.