11120 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 5 7 7 7 8 8 8 5 7 6 8 5 6 6 9 10 11 12 13 14 1 1 1 1 2 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -1.6266 1.6266 -0.817 0.817 -0.68 0.68 -2.9769 2.9769 -3.171 -3.1716 -3.6416 3.6417 3.1711 3.1714 -0.6284 0.6283 1.54 -1.54 0.332 -0.3319 -0.1552 0.1551 0.436 0.4363 -1.0231 1.023 -0.4363 -0.4362 0 -0.0002 0.0003 0.0003 0.0004 0.0001 -0.0005 -0.0004 -0.9006 0.8994 -0.0007 -0.0005 -0.9004 0.8996 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002B7000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 12.8183 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10857977 72 18338790234075806481 11062470 55 16877659076063168829 12897270 3 18410573980867059477 14325111 11 18410574002658413408 15310529 11 14548746079531577608 16714656 1 18341050808476035198 21040471 1 18338516460012497410 23552423 10 18117563933206790902 24536 1 18123171425296631972 29004967 10 18334301984872528875 5084963 1 18272373070506595808 5460574 1 9223236242873778179 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 141.16 3.97 1.18 0.56 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 266.539 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 88 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.43 2 -0.43 3 -0.57 4 -0.57 5 0.72 6 0.72 7 0.28 8 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 3 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 3 acceptor 1 4 acceptor 8 0 0 0 0 0 0 0 1 1