68154 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 6 6 1 1 1 1 1 1 2 3 3 3 4 4 5 5 7 6 7 6 4 5 8 6 9 7 10 11 1 1 2 2 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -0.3521 -2.2679 1.0868 -0.2489 1.7742 -1.0417 1.0496 1.6759 -0.7819 2.8567 1.4474 1.1973 -0.0279 -1.1922 -1.2376 0.0648 0.0115 1.1842 -2.1022 -2.1813 0.083 2.1879 -0.0001 0.0001 0.0001 -0.0002 0.0001 0.0001 0 0 -0.0003 0.0002 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00010A3A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 18.2011 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18410582798809399588 18185500 45 18413102849052788031 20096714 4 18339080505092836970 21040471 1 18266740370942126724 23552423 10 17684945604571047206 29004967 10 18334019375765969771 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 132.32 2.18 1.42 0.59 0.66 0.06 0 -0.1 0 -0.29 0 -0.04 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 271.157 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.3 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 11 1 -0.23 10 0.15 11 0.15 2 -0.57 3 -0.15 4 -0.14 5 -0.15 6 0.71 7 -0.07 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 2 1 2 acceptor 6 1 3 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 1