24553 1 2 3 4 9 9 9 7 1 2 3 4 4 4 1 1 1 2 5 10 1 2 3 4 -0.336 -0.9217 1.2576 0.0001 1.258 -0.9198 -0.3381 -0.0001 0.109 0.1091 0.1091 -0.3272 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005FE900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 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 9655313530612130118 21015797 1 9727631700310417318 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.52 1.09 1.08 0.51 0.35 0.19 -0.02 -0.19 0.07 -0.35 0.07 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 89.099 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 37.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 4 1 -0.06 2 -0.06 3 -0.06 4 0.19 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 4 0 0 0 0 0 0 0 1 1