10964 1 2 3 4 5 6 7 8 9 8 8 6 6 6 1 1 1 1 1 2 3 3 3 3 4 5 4 5 4 5 6 7 8 9 2 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 1.3685 -1.3685 -0.0001 1.2852 -1.2852 0 -0.0001 2.2008 -2.2008 0.8902 0.8902 -1.1149 -0.3328 -0.3328 -1.7434 -1.7651 -0.9494 -0.9493 0.0022 0.0022 0.0069 -0.0057 -0.0056 0.9028 -0.8735 -0.0178 -0.0176 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002AD400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8509 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.228 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18410856533875273554 21015797 1 9295022274751409987 21040471 1 18410575071809832038 5943 1 15898723505246019458 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 1.93 1.15 0.58 0 0.02 0 -0.4 0 0 0 0 0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 161.157 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 6 2 3 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.57 2 -0.57 3 0.12 4 0.45 5 0.45 8 0.06 9 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 2 acceptor 1 3 anion 5 0 0 0 0 0 0 0 1 2