520540 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 6 3 4 3 5 7 8 9 10 6 11 12 6 13 14 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -1.3389 0.8357 -0.6248 -0.8849 1.4041 0.6087 0.9156 1.4194 -1.0903 -0.7189 -1.2598 -1.3316 2.4811 1.0438 0.1602 1.1975 1.217 -1.1312 -0.1863 -1.2572 1.5449 1.8796 2.1659 1.1155 -1.3305 -1.8672 -0.3101 -2.2489 0.32 0.1224 -0.3223 -0.1044 0.0528 -0.0685 1.1591 -0.5045 -0.0371 -1.4107 -1.1142 0.5713 0.099 -0.1401 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0007F15C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.1595 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18338530663664433374 20096714 4 18267871755474707642 21015797 1 9359552595037128910 21040471 1 18050002199323019452 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 117.61 1.62 1.56 0.64 0.01 0.05 0.01 -0.04 0.06 -0.01 -0.05 0.02 -0.01 -0.07 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 226.548 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.7 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 8 1 -0.56 13 0.15 14 0.15 2 0.14 3 0.28 4 0.42 5 -0.29 6 -0.29 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 2 1 1 acceptor 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1