7940 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 6 6 6 7 8 7 8 5 6 9 10 7 11 12 8 13 14 1 1 2 2 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 0.0001 2.2481 -2.2479 -0.0005 1.2149 -1.2148 1.1974 -1.1972 -0.0012 -0.0005 2.1153 1.269 -1.2672 -2.1161 -1.0281 -1.0367 -1.0368 1.7301 1.0844 1.0839 -0.3983 -0.3985 1.5831 2.8082 1.4956 1.2729 1.2714 1.4954 0.0721 0.033 0.0339 0.3742 -0.238 -0.2397 -0.0177 -0.0178 1.4613 0.1827 0.2311 -1.3156 -1.3176 0.2275 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F0400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.018 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17978233764058450076 18185500 45 18263082111072889826 21040471 1 16969704975318734093 23552423 10 18188215312323978486 29004967 10 18191028004595872689 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 147.03 2.4 1.68 0.62 0 0.45 0 -0.94 -0.06 0 0.09 0 0.09 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 297.617 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 85.2 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 7 1 -0.3 2 -0.57 3 -0.57 5 0.06 6 0.06 7 0.66 8 0.66 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 2 acceptor 1 3 acceptor 6 1 4 5 6 7 8 rings 8 0 0 0 0 0 0 0 1 1