31374 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 5 5 5 6 6 6 3 3 4 5 6 7 8 9 10 11 12 13 14 15 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1.2663 -0.667 0.7159 -1.2753 -1.6059 1.5661 -0.5658 -1.9046 -1.9054 -2.2314 -1.076 -2.2315 2.623 1.3802 1.3799 1.2552 -0.0353 0.1509 -1.3596 1.0836 -1.0949 -2.1856 -1.4493 -1.449 1.0203 2.0394 1.0203 -0.8087 -1.6851 -1.6852 0 0 0 0 0 0 0.0005 -0.8911 0.8905 -0.8949 -0.0001 0.8949 -0.0002 0.9011 -0.9011 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00007A8E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.8023 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 18266741285928468293 16714656 1 9149158871998858058 20096714 4 9366806086093779679 21015797 1 18410855417215431590 21040471 1 9294472506047377831 24536 1 9295014500839323339 29004967 10 10374995589771288221 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 112.63 2.18 1.55 0.59 0 0.15 0 -0.01 0 -0.14 0 -0.01 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 199.391 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.5 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 6 1 -0.57 2 -0.66 3 0.57 4 0.3 5 0.3 6 0.06 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 6 0 0 0 0 0 0 0 1 1