6410 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 2 3 16 4 5 6 7 8 9 10 11 12 13 14 15 1 1 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 16 0.7057 1.9032 -0.3771 -0.2733 -1.6753 -0.2831 -0.1883 -1.1547 0.6042 -1.7308 -1.7249 -2.5557 0.6042 -1.1579 -0.2199 2.1642 -0.0003 0.0003 0 -1.2542 -0.0085 1.2627 -2.1523 -1.3633 -1.2411 0.8653 -0.8897 -0.008 1.2694 1.3635 2.1564 -0.9141 0.9104 0.0902 -0.0207 -0.8874 0.7835 -0.876 -0.2649 -1.529 -1.5432 1.4427 1.4334 0.1326 -1.5184 -1.5278 -0.2446 0.2935 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000190A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 10.8599 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 15123515782861778601 16714656 1 18410862061719710268 20096714 4 15769776827451955675 21015797 1 13613656610136768881 24536 1 16879601844506004024 29004967 10 17603871147216307921 5943 1 12136781016871305885 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 1.68 1.17 1.09 0.25 0.01 -0.07 0 0.56 -0.09 -0.51 -0.08 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 197.386 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.7 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 4 1 -0.28 16 0.4 2 -0.4 3 0.28 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 4 3 4 5 6 hydrophobe 6 0 0 0 0 0 0 0 1 1