9223 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 4 4 5 5 6 6 7 7 8 9 3 9 3 4 5 6 7 10 9 11 8 12 8 13 14 15 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 -1.5396 -0.2759 -0.2648 0.9536 -1.6454 0.8954 2.138 2.1067 -2.368 0.9937 -2.0548 0.8632 3.0954 3.0416 -3.4246 -1.1283 0.7444 -0.6467 1.4259 1.1193 -1.4189 0.6762 -0.7206 -0.0514 2.511 2.1195 -2.5019 1.191 -1.2757 -0.2759 0.0002 -0.0001 0 -0.0001 -0.0002 -0.0002 0.0003 -0.0001 0.0001 0 -0.0003 -0.0002 0.0005 0 0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000240700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 14.0517 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.325 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12897270 3 18410574015232072629 16945 1 18410573985162033125 18185500 45 18338796715139296802 21040471 1 18338517572440636608 23402655 69 18196073479521788405 23552423 10 18333453144499868566 2748010 2 18410856568266660588 29004967 10 18334581230465833280 369184 2 18409443674313221609 5084963 1 18342739636787661648 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 179.35 3 1.54 0.61 0.28 0.01 0 0 0 -0.21 0 -0.02 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 397.159 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 98.2 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 14 1 -0.28 10 0.15 11 0.15 12 0.15 13 0.15 14 0.15 15 0.15 3 0.14 4 -0.15 5 -0.15 6 -0.15 7 -0.15 8 -0.15 9 -0.01 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 3 1 1 acceptor 5 1 2 3 5 9 rings 6 2 3 4 6 7 8 rings 9 0 0 0 0 0 0 0 1 1