24556 1 2 3 4 5 14 9 9 9 9 1 1 1 1 2 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 0 -0.5772 -1.0269 0.1991 1.405 -0.0001 0.8333 -1.161 0.9716 -0.6439 0.0001 1.2341 -0.3852 -1.2518 0.4028 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005FEC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0704 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 21015797 1 14798061788301629801 5943 1 9054349581810145644 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.02 1.15 1.15 1.15 0.15 0.01 -0.03 0.29 -0.09 -0.08 0.12 -0.07 -0.31 -0.31 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 155.251 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 1.64 2 -0.41 3 -0.41 4 -0.41 5 -0.41 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 5 0 0 0 0 0 0 0 1 1