28660 1 2 3 4 5 6 7 8 9 8 8 7 6 6 6 1 1 1 1 1 2 3 4 4 4 5 4 5 5 6 7 8 9 6 1 1 2 3 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -0.9209 -0.3911 2.4132 -2.3173 -0.0828 1.2989 -2.8772 -2.5776 -2.5793 0.7748 -1.4779 0.4306 0.4606 -0.2955 0.1073 1.3997 -0.1035 -0.1047 -0.0007 0.0002 0.0006 0.0008 -0.0008 -0.0001 0.0007 0.9016 -0.8986 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00006FF400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.7093 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 16714656 1 18409450310085244629 20096714 4 18409448076839420184 21040471 1 18410573976645912582 5460574 1 9223230745315821184 5943 1 9680938155882518027 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.76 2.92 1.04 0.57 0.14 0.37 0 -0.91 0 -0.17 0 -0.02 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 196.775 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.7 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 6 1 -0.43 2 -0.57 3 -0.56 4 0.28 5 0.83 6 0.45 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 1 3 acceptor 6 0 0 0 0 0 0 0 1 1