Table 3. Molecular properties for ligand molecules.

Molecule	TPSA	Atoms	Rotatable bonds	Volume
Y-3	151.752	23	3	257.413
1	152.197	32	2	368.637
2	141.203	33	4	385.03
3	131.969	33	3	382.513
4	149.04	30	3	340.148
5	131.969	33	5	387.431
6	149.04	31	2	350.387
7	149.04	33	6	394.675
8	149.04	33	4	371.617
9	149.04	30	5	350.373
10	149.04	32	5	372.242
11	149.04	31	3	356.683
12	149.04	32	4	373.402
13	149.04	32	4	367.189
14	149.04	32	6	378.428