8027 1 2 3 4 5 6 7 8 9 10 7 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 2 3 6 4 7 5 8 5 9 10 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.0032 -1.1187 1.1207 -0.711 0.7058 0.006 -2.1038 2.1083 -1.3638 1.3538 -1.158 -0.3708 -0.3648 0.9448 0.9487 -2.1687 -0.8157 -0.8041 1.8064 1.8139 -0.0002 0.0002 0.0001 -0.0002 0 -0.0003 0.0003 0.0002 -0.0003 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F5B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2051 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18339083687600436208 21015797 1 9223231844832593793 21040471 1 18194401332055614693 5943 1 12281047452041220404 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.92 1.34 1.24 0.6 0 0.03 0 -0.02 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 199.694 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58.2 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 10 1 0.03 10 0.15 2 -0.3 3 -0.3 4 -0.15 5 -0.15 6 0.27 7 0.15 8 0.15 9 0.15 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 3 1 1 cation 1 1 donor 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1