7923 1 2 3 4 5 6 7 8 9 8 8 8 6 6 6 6 1 1 1 1 2 3 4 4 4 5 5 6 7 6 7 5 6 8 7 9 1 1 2 2 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0 2.2671 -2.2672 0.6637 -0.6635 1.1109 -1.1109 1.3162 -1.3159 0.9555 0.5567 0.5566 -1.2108 -1.2107 0.1764 0.1763 -2.0671 -2.0671 -0.0003 0.0002 -0.0001 -0.0003 0.0002 -0.0001 0.0003 -0.0006 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EF300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.6606 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 18409172142396856260 20096714 4 18411136935126003962 21040471 1 18410856563961163106 23552423 10 18260551168893133182 29004967 10 18040726826694922025 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 126.45 2.31 1.23 0.57 0 0.35 0 -0.7 0 0 0 0 0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 266.99 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 73 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 9 1 -0.3 2 -0.57 3 -0.57 4 -0.14 5 -0.14 6 0.71 7 0.71 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 1.8.1 OEShape openeye.com 2012.05.21 3 1 2 acceptor 1 3 acceptor 5 1 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 1