6451467 1 2 3 4 5 6 7 7 7 7 7 1 1 1 1 2 3 4 2 3 6 4 5 5 1 1 1 2 2 1 2 5 10 1 2 3 4 5 6 0.0002 1.1295 -1.1293 0.6876 -0.688 0.0004 1.0783 0.3559 0.3563 -0.8953 -0.8952 2.0928 0 -0.0001 0.0001 0.0002 -0.0001 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0062710B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7193 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223231849122331811 20096714 4 18411422808133557368 21015797 1 9295289438870476258 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.99 1.21 1.12 0.51 0 0.02 0 -0.01 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 151.36 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 46.4 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 4 1 0.57 2 -0.42 3 -0.42 6 0.27 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 1 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1