69245 1 2 3 4 5 6 7 8 9 10 8 7 6 6 6 6 6 1 1 1 1 1 2 3 3 3 4 5 5 6 4 6 7 4 5 8 7 6 9 10 1 1 3 2 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.4274 2.8352 -0.632 0.2466 -1.9293 -1.7509 1.6578 -0.3757 -2.8758 -2.4269 1.084 0.0142 -1.1541 -0.0958 -0.5881 0.7757 -0.0358 -2.2043 -1.109 1.6182 0.0002 -0.0003 0.0001 0.0004 -0.0002 -0.0003 0 0 -0.0004 -0.0005 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00010E7D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.3152 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 18411138043253972607 20096714 4 18337391530599335232 21040471 1 18266740182000521445 23552423 10 18260553277490077310 29004967 10 16272212993901782966 369184 2 18410851066550736882 5460574 1 9223234044077375938 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 133.21 3.09 1.07 0.59 1.95 0.03 0 -0.06 0 -0.44 0 -0.03 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 276.279 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.9 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 10 1 -0.28 10 0.15 2 -0.56 3 -0.15 4 0.16 5 -0.15 6 -0.01 7 0.54 8 0.15 9 0.15 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 1 2 acceptor 5 1 3 4 5 6 rings 7 0 0 0 0 0 0 0 1 1