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Table 1 Relationship between the number of rotatable bonds, the number of conformers generated and the minimum RMSD to the crystal structure.

From: Confab - Systematic generation of diverse low-energy conformers

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