2723630 1 2 3 4 5 6 7 8 9 16 16 16 7 7 6 6 1 1 1 1 2 3 4 4 4 5 5 6 7 6 7 5 6 8 7 9 1 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -0.0001 2.8938 -2.8937 0.6843 -0.6842 1.259 -1.259 1.1799 -1.1798 1.3209 0.3875 0.3875 -1.1455 -1.1455 0.0976 0.0975 -2.0288 -2.0288 -0.002 0.0022 0.002 -0.0009 -0.0001 -0.0006 -0.0006 0.0002 0.0014 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00298F2E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.9316 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 26.932 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 14325111 11 18410855460138867201 14390081 3 18272930518311654801 16714656 1 18410013247322614556 20096714 4 18410574023827255819 21040471 1 18410856576819658757 21293036 1 18411979186939977357 23235685 24 18410852161593486340 23402655 69 18195790900875678205 23552423 10 18118408345378595566 29004967 10 18186810153506380529 5460574 1 9295289443239413505 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 145.64 3.99 1.24 0.63 0 0.01 0 -0.62 -0.01 0 0 0 -0.05 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 258.108 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 96.7 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 9 1 -0.28 2 -0.38 3 -0.38 4 -0.43 5 -0.43 6 0.58 7 0.58 8 0.37 9 0.37 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 donor 5 1 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 3