Table 2. Physicochemical and ADMET Properties of the Conjugates^a.

conjugates	MW	HBD	HBA	QPlogPo/w	QPlogHERG	QPPCaco	QPlogBB	QPlogKhsa
4	450.339	4	7	3.263	–6.881	249.261	–1.414	0.131
6	533.446	3	9	4.508	–7.142	542.052	–0.976	0.374
8	542.439	3	9	4.423	–7.53	424.696	–1.339	0.446
10	492.376	3	8	3.812	–6.619	196.067	–1.511	0.399
11	492.379	4	5	3.9	–6.539	48.44	–2.254	0.611
12	395.475	3	6	3.216	–6.736	206.315	–1.676	0.344
13	490.576	2	8	4.795	–7.643	344.386	–1.72	0.828
14	478.583	2	8	4.555	–7.769	456.18	–1.394	0.596
15	473.548	2	8	4.156	–7.827	305.81	–1.686	0.52
17	476.549	2	8	4.358	–7.577	279.917	–1.78	0.664

^aMW = molecular weight, HBD = estimated no. of hydrogen-bond donor, HBA = estimated no. of hydrogen-bond acceptor, QPlogPo/w = predicted octanol/water partition coefficient, QPlogHERG = predicted IC₅₀ value for blockage of HERG K⁺ channels, QPPCaco = predicted Caco2 cell permeability in nm/s, QPlogBB = predicted brain/blood partition coefficient, QPlogKhsa = prediction of binding to human serum albumin.