7918 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 5 6 6 6 7 7 7 4 5 4 5 6 7 8 9 10 11 12 13 1 1 2 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 0 1.3055 -1.3055 1.1687 -1.1687 2.3195 -2.3196 3.2599 2.288 2.2803 -2.2815 -3.2599 -2.287 0.6787 -1.2445 -1.2445 -0.0287 -0.0287 0.9339 0.9338 0.3751 1.5467 1.5623 1.5598 0.375 1.549 -0.0004 -0.0013 0.0015 -0.0015 0.001 0.0017 -0.0011 -0.0078 0.9061 -0.8917 0.8939 0.0055 -0.9039 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EEE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.51 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.16 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 14390081 3 18272647973867170312 20096714 4 18410576158410203665 21040471 1 18410856546770776901 23552423 10 18334014982056942086 24536 1 18338503196973996387 29004967 10 14418127413835055220 5460574 1 9223230749837622305 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 126.45 3.17 1.26 0.57 0 0.23 0 -0.94 0 0 0 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 236.049 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 79.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 4 5 6 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.3 2 -0.57 3 -0.57 4 0.66 5 0.66 6 0.06 7 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 2 1 2 acceptor 1 3 acceptor 7 0 0 0 0 0 0 0 1 1