8300 1 2 3 4 5 6 7 8 9 10 11 12 13 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 2 4 3 5 6 7 8 9 10 11 12 13 1 1 1 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 0.828 -0.4536 -1.1431 1.7797 -1.0111 -2.1743 -0.6152 -1.1734 2.7759 1.739 1.648 -0.4723 -2.0159 0.0056 -0.0636 1.2422 0.0678 -1.252 1.1053 1.8303 1.8219 0.1124 -0.825 0.9683 -2.1749 -1.3292 -0.613 -0.1023 0.13 0.4306 0.1548 0.4721 0.8867 -0.7982 -0.0201 1.0647 1.0401 -0.0325 0.5559 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000206C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.2685 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 139733 1 9798599682630937371 20096714 4 18054508006484556297 21015797 1 9943262388916391231 21040471 1 18265903440693106989 5943 1 12549894404678881959 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 1.91 1.26 0.7 0.89 0.01 0 -0.12 -0.24 -0.69 -0.1 0.08 0 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 168.942 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.36 12 0.15 13 0.15 2 -0.06 3 0.14 4 0.28 5 -0.3 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 1 acceptor 5 0 0 0 0 0 0 0 1 1