24807 1 2 3 4 17 17 16 16 1 2 3 3 4 4 1 1 1 2 5 10 1 2 3 4 -1.917 1.9168 -0.7934 0.7936 -0.7109 -0.7113 0.7108 0.7114 -0.269 0.2686 0.6496 -0.6492 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000060E700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -8.7338 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288343648573505 5943 1 12333044190132112933 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 93.76 2.76 1.18 0.93 0 0.01 0 -1.06 0 0 0 0 0.13 -0.38 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 121.649 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 78 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 4 3 6 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.07 2 -0.07 3 0.07 4 0.07 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 1