7612 1 2 3 4 5 6 7 8 9 10 11 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 2 3 6 7 4 8 5 9 5 10 11 1 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -0.0007 1.1672 -1.1676 0.7203 -0.7192 -0.0011 -0.001 2.2049 -2.2056 1.3285 -1.3264 1.2606 0.3172 0.3159 -0.9464 -0.9472 1.8894 1.8894 0.6146 0.6122 -1.8364 -1.8378 0 0 0 0 0 0.8951 -0.8951 0 0 0 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001DBC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.1945 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 20096714 4 9223239558599242622 21015797 1 18410856598310345479 21040471 1 9294416431070249891 5943 1 12328403233160605782 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 1.37 1.33 0.62 0 0.07 0 -0.02 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 207.476 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60 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 9 1 0.28 10 0.15 11 0.15 2 -0.29 3 -0.29 4 -0.15 5 -0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 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