Menthol carbonates as potent antiparasitic agents: synthesis and in vitro studies along with computer-aided approaches

Table 2 ADME molecular descriptors of compounds designed

Compound	MW (g/mol)	LogP	HBA	HBD	TPSA(Å²)	RB	MR	RL	GR	VR	Synth. Acce
Menthol	156.27	2.58	1	1	20.23	1	49.23	Yes	Yes	Yes	2.63
1	214.31	3.04	3	0	35.54	4	60.44	Yes	Yes	Yes	3.49
2	228.33	3.33	3	0	35.54	5	65.25	Yes	Yes	Yes	3.64
3	242.36	3.74	3	0	35.54	6	70.06	Yes	Yes	Yes	3.75
4	242.36	3.64	3	0	35.54	5	70.06	Yes	Yes	Yes	3.75
5	256.39	3.98	3	0	35.54	7	74.86	Yes	Yes	Yes	3.86
6	270.41	4.42	3	0	35.54	8	79.67	Yes	Yes	Yes	3.97
7	284.44	4.68	3	0	35.54	9	84.48	Yes	Yes	Yes	4.08
8	298.47	5.15	3	0	35.54	10	89.28	Yes	Yes	Yes	4.20
9	312.49	5.39	3	0	35.54	11	94.09	Yes	Yes	No	4.31

MW Molecular weight, LogP octanol/water partition coefficient, HBA Hydrogen Bond Acceptor, HBD Hydrogen Bond Donor, TPSA Topological Polar Surface Area, RB: Rotatable Bond, and MR Molar Refractivity. LR Lipinski Rules, GR Ghose Rules, VR Veber Rules, and Synth. Acce. Synthetic accessibility

ISSN: 2662-7671