10554 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 5 3 3 4 5 6 7 8 9 10 11 12 13 14 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 1.9355 -0.6544 0.8296 -0.9978 -1.1129 -1.2242 1.0408 1.0925 -2.0818 -0.6608 -0.5415 -2.1961 -0.8817 -0.6333 0.0036 -0.002 -0.0818 1.2954 -1.2151 -0.0069 -1.0169 0.7446 1.384 2.1667 1.3396 -1.1833 -2.1458 -1.2536 0.5749 -0.4339 -0.8176 0.2997 0.3769 -1.3726 -1.346 -1.4858 0.4315 -0.2717 1.2937 0.5367 -0.1518 1.3602 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000293A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.9292 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 10663285309217122679 20096714 4 17699566944197858344 21015797 1 10158320206173313245 21040471 1 18121512258045209989 24536 1 18411419501288152156 5943 1 14097362565831709823 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 104.77 2.08 1.25 0.91 1.06 0.07 -0.07 -0.05 0.44 -0.65 0.22 0.16 -0.02 0.04 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 169.261 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.1 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 2 1 -0.29 3 0.29 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 3 2 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1