756 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 1 1 2 3 3 3 4 3 8 4 4 5 6 7 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.3619 -1.3528 0.7455 -0.7545 1.0616 1.0469 -1.3091 1.1476 0.6173 0.552 -0.6508 -0.5186 -1.2139 -1.1912 -1.4725 1.0462 0.0006 -0.0008 -0.0012 0.0014 0.8809 -0.9023 0.0029 0.8467 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002F400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -2.6118 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.229 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9221784887725905218 20096714 4 18411420596251695736 21015797 1 9222966879736679143 5943 1 13290669507458296058 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 1.66 0.9 0.56 0 0.04 0 -0.33 0 -0.06 0 0 0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 118.64 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.68 2 -0.57 3 0.34 4 0.45 7 0.06 8 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 1 1 donor 1 2 acceptor 4 0 0 0 0 0 0 0 1 2