Synthesis of thiazoloquinolinone derivatives: molecular docking, MD simulation, and pharmacological evaluation as VEGFR-2 inhibitors

Table 4 Pharmacokinetic properties of the compounds (5a–l)

Compound	MW (g/mol)	HBA	HBD	TPSA	MLog P	MR	nRot	Lipinski	Ghose	Veber’s rule	Muegge	SA score
5a	328.39	3	0	91.43	1.42	94.90	2	Yes	Yes	Yes	Yes	4.14
5b	358.41	4	0	100.66	1.11	101.39	3	Yes	Yes	Yes	Yes	4.21
5c	346.38	4	0	91.43	1.80	94.85	2	Yes	Yes	Yes	Yes	4.14
5d	358.41	4	0	100.66	1.11	101.39	3	Yes	Yes	Yes	Yes	4.23
5e	362.83	3	0	91.43	1.92	99.91	2	Yes	Yes	Yes	Yes	4.18
5f	374.41	5	1	120.89	0.58	103.41	3	Yes	Yes	Yes	Yes	4.31
5 g	362.83	3	0	91.43	1.92	99.91	2	Yes	Yes	Yes	Yes	4.11
5 h	362.83	3	0	91.43	1.92	99.91	2	Yes	Yes	Yes	Yes	4.10
5i	344.38	4	1	111.66	0.87	96.92	2	Yes	Yes	Yes	Yes	4.14
5j	423.28	4	1	111.66	1.49	104.62	2	Yes	Yes	Yes	Yes	4.22
5 k	388.44	5	0	109.89	0.81	107.88	4	Yes	Yes	Yes	Yes	4.37
5 l	358.41	4	0	100.66	1.11	101.39	3	Yes	Yes	Yes	Yes	4.25

ISSN: 2661-801X