Table 3.

LibDock scores, no. of H-bonds and H-bond energies.

Comp.	LibDock score	No. of H-bond (s)	H-Bond energy
3a	93.077	3	−2.056
3b	96.153	3	−1.648
3c	101.69	3	−2.174
3d	111.343	3	−2.056
3e	108.143	5	−5.457
3′a	107.807	4	0.804
3′b	116.533	6	−3.727
3′c	126.390	4	−2.265
3′d	110.908	3	0.179
3′e	127.665	4	−2.246
3′f	118.391	5	0.173
3′g	117.436	2	0.182
3′h	110.983	3	0.174
3′i	120.229	3	0
3′j	118.985	4	−2.5
3′k	120.370	1	−2.526
3′l	122.609	3	0.976
3′m	100.364	1	−2.526
3′n	122.864	4	0.780
3″a	101.911	3	−2.5
3″b	105.097	5	−2.5
3″c	110.952	6	−2.466
3″d	110.646	5	−2.478
3″e	124.747	6	0.031
E-64	100.364	7	0.086