Table 1.

Relationship between the number of rotatable bonds, the number of conformers generated and the minimum RMSD to the crystal structure.

Rotatable bonds†	Number of molecules	Total Conformers (median)	Low Energy Conformers (median)	Diverse Conformers (median)					Minimum RMSD to crystal (median)
				0.5 Å	1.0 Å	1.5 Å	2.0 Å	3.0 Å	0.5 Å	1.0 Å	1.5 Å	2.0 Å	3.0 Å
1	214	3	3	3	1	1	1	1	0.18	0.40	0.45	0.45	0.45
2	97	36	25	8	2	1	1	1	0.34	0.54	0.74	0.80	0.80
3	216	72	44	19	4	1	1	1	0.39	0.70	1.02	1.06	1.06
4	143	1296	582	96	9	2	1	1	0.52	0.80	1.07	1.14	1.24
5	86	3024	1065	189	24	4	1	1	0.60	0.82	1.14	1.31	1.34
6	114	186624	24317	2953	192	24	5	1	0.71	0.90	1.21	1.49	1.78
7	69	34992	10679	1402	139	17	4	1	0.66	0.83	1.14	1.44	1.73

^†The 61 molecules with 8 or more rotatable bonds are omitted.