15559065 1 2 3 4 5 6 7 8 9 10 8 8 6 6 6 6 1 1 1 1 1 1 2 3 3 3 4 4 5 6 2 5 6 4 5 7 6 8 9 10 1 1 1 1 2 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.6801 0.6885 -0.7088 0.7004 -1.3353 1.3352 -1.2238 1.2088 -2.3946 2.3955 -1.1713 -1.1664 1.1702 1.1753 -0.0086 0.0009 2.0934 2.1022 -0.1621 -0.145 0.2901 -0.2902 -0.1401 0.14 -0.0747 0.0749 -0.3695 0.3694 -0.2091 0.2095 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00ED699900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 19.4936 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 16714656 1 17616826864773335404 20096714 4 18411418401518178209 21015797 1 9223219750204785697 21040471 1 18410009897100547509 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 1.55 1.44 0.61 0 0.02 0 0 0 0 0 0 -0.02 0.1 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 221.959 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.8 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 -0.08 10 0.15 2 -0.08 3 -0.15 4 -0.15 5 -0.07 6 -0.07 7 0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1