3562 1 2 3 4 5 6 7 8 35 17 9 9 9 6 6 1 1 2 3 4 5 6 7 7 7 6 6 6 7 8 1 1 1 1 1 1 1 7 1 2 6 8 3 1 2 5 10 1 2 3 4 5 6 7 8 1.8251 1.4929 -1.4418 -0.7146 -1.2388 -0.6665 0.7437 0.765 -1.4119 1.6011 0.9828 -0.0521 -1.1818 -0.04 0.1019 0.1033 -0.0431 -0.0491 0.4379 -1.3396 0.4537 0.0097 0.5305 1.6235 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000DEA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.7009 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 17764593118721729034 20096714 4 18412267246085851840 24536 1 18338218445111331880 29004967 10 18338239237285609586 5943 1 12450939865728360966 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 130.05 2.17 1.68 0.87 0.4 0.49 -0.2 -0.46 0.06 0.7 0.05 -0.11 -0.04 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 223.496 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 89.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 -0.23 2 -0.29 3 -0.34 4 -0.34 5 -0.34 6 1.02 7 0.52 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 1 hydrophobe 7 1 0 1 0 0 0 0 1 1