6406 1 2 3 4 5 6 7 8 9 10 11 12 13 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 3 13 6 4 5 6 7 8 9 10 11 12 1 1 3 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 -0.8584 2.2004 -0.432 -0.9757 -0.9744 1.0401 -2.0695 -0.608 -0.6862 -2.0688 -0.6155 -0.6744 -0.5631 -0.0011 0.0002 0 1.2584 -1.2581 0.0006 1.2922 2.1646 1.3107 -1.2872 -2.1622 -1.3168 0.829 1.3745 -0.0414 0.0124 -0.6632 -0.6646 -0.0178 -0.6007 -0.1668 -1.7187 -0.6125 -0.1577 -1.7167 1.787 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000190600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.7866 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.297 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11098666599263390958 16714656 1 18410564094110787629 20096714 4 17825096013587819420 21040471 1 18122891054200538484 24536 1 17203608181626275040 29004967 10 17901097839249641315 5943 1 12748685213727779215 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 112.63 1.93 1.16 0.99 1.38 0 -0.31 0 0.19 -0.58 0.33 -0.32 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 205.505 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.68 13 0.4 2 -0.56 3 0.48 6 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 acceptor 1 1 donor 1 2 acceptor 3 3 4 5 hydrophobe 6 0 0 0 0 0 0 0 1 1