Table 3. In Silico Physicochemical/Pharmacokinetic Properties of Eugenol Hybrids (5–17)^d.

	Lipinski parameters
compd. no.	MWa	HBAb	HBDc	i log Po/w	violations	nROTBe	TPSAf	% ABSg	BBBh	GI ABSi
5	445.92	6	1	4.23	0	10	111.78	70.43	no	high
6	445.92	6	1	3.53	0	10	111.78	70.43	no	high
7	425.50	6	1	3.55	0	10	111.78	70.43	no	high
8	480.36	6	1	4.45	0	10	111.78	70.43	no	high
9	447.46	8	1	3.95	0	10	111.78	70.43	no	high
10	469.51	8	1	4.17	0	11	138.08	61.36	no	low
11	490.37	6	1	3.12	0	10	111.78	70.43	no	high
12	490.37	6	1	3.20	0	10	111.78	70.43	no	high
13	405.47	7	0	3.62	0	9	112.22	70.28	no	high
14	403.50	6	0	3.95	0	9	102.99	73.46	no	high
15	361.46	5	0	3.97	0	8	84.75	79.76	no	high
16	375.49	5	0	4.16	0	8	84.75	79.76	no	high
17	377.46	6	0	3.97	0	8	93.98	76.57	no	high

^aMolecular weight.

^bHydrogen bond acceptor.

^cHydrogen bond donor.

^dPartition coefficient.

^eNumber of rotable bonds.

^fTopological PSA.

^gAbsorption %.

^hBlood–brain barrier.

ⁱGastrointestinal absorption.