Table 1.

Topological properties of chloroquine derivatives.

Interactions	ρ (r)	∇2 ρ (r)	H(r)	G(r)	V(r)	λ 1	λ 2	λ 3	Ebond kJ.mol−1	ELF
Hydroxychloroquine
N4-H31…H45	0.0126	0.0542	0.0025	0.01106	−0.0085	0.0766	−0.0136	−0.0087	11.158	0.0308
C8-H28…H44	0.0105	0.0467	0.0028	0.0089	−0.0060	−0.0080	−0.0021	0.0569	7.876	0.0259
C14-H40…C17	0.0011	0.0035	0.0003	0.0006	−0.0003	−0.0006	0.0046	−0.0004	0.393	0.0025
Hydroxychloroquine sulfate
C47-H48…N13	0.0141	0.0583	0.0023	0.0122	−0.0099	0.0723	−0.0019	−0.0121	12.996	0.0360
C32-H14…N13	0.0396	0.0994	−0.0024	0.0273	−0.0298	−0.0605	−0.0582	0.2181	39.119	0.1892
C47-H48…O5	0.0082	0.0310	0.0011	0.0066	−0.0054	−0.0032	0.0415	−0.7288	7.088	0.0213
N9-H10…O5	0.0635	0.1772	−0.0060	0.0503	−0.0563	0.4135	−0.1155	−0.1208	73.907	0.2500
S1-H55…O5	0.0062	0.0245	0.0010	0.0051	−0.0040	−0.0056	−0.0027	0.0329	0.525	0.0141
C29-H31…O4	0.0154	0.0497	0.0002	0.0121	−0.0118	0.0815	−0.0167	−0.0151	15.490	0.0488
C26-H28…O4	0.0103	0.0389	0.0011	0.0085	−0.0073	−0.0086	−0.0075	0.0550	9.583	0.0267
C17-H19…O4	0.0107	0.0350	0.0006	0.0081	−0.0074	−0.0104	0.0553	−0.0099	9.714	0.0326
C34-H35…O3	0.0091	0.0394	0.0016	0.0081	−0.0065	−0.0074	−0.0047	0.0516	8.532	0.0192