66948 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 7 7 3 6 6 4 7 5 8 6 9 10 11 1 1 2 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 0.0052 -2.2563 1.0812 0.6211 -0.7042 -1.0992 2.3522 1.2517 -1.3722 2.5937 3.1762 1.0039 0.5785 0.1276 -1.2157 -1.2217 0.1895 0.5378 -2.0907 -2.0646 1.5955 -0.1681 0.0002 0 0 0 0.0001 -0.0002 0 0.0001 0.0001 0 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001058400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.1678 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 18409171042911602236 20096714 4 18411138030374312954 21040471 1 18410573985225317154 23552423 10 18260551168919487438 29004967 10 17895485742943913281 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 132.32 2.52 1.25 0.59 0.36 0.32 0 -0.76 0 -0.12 0 0.03 0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 276.398 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 77 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 11 1 -0.23 10 0.15 11 0.15 2 -0.57 3 0.08 4 -0.15 5 -0.14 6 0.71 7 -0.3 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 5 1 3 4 5 6 rings 7 0 0 0 0 0 0 0 1 1