5987 1 2 3 4 5 6 7 8 16 8 8 8 7 1 1 1 1 1 1 1 2 5 5 2 3 4 5 8 6 7 1 2 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -0.0509 -0.9255 -0.2975 -0.2944 1.5682 1.869 2.286 -0.7518 0.0031 -0.0275 -1.2406 1.2768 -0.0118 -0.8429 0.3187 0.7135 -0.1153 1.2607 -0.8205 -0.7657 0.4409 0.966 -0.2166 1.8875 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000176300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.4838 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.43 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8182711618742401026 21015797 1 16097897347994033693 5943 1 8379211616589248797 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 84.16 1.19 1.11 1.09 0.63 0.03 0.26 -0.01 0.27 -0.2 -0.42 -0.3 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 138.487 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 1.62 2 -0.68 3 -0.65 4 -0.65 5 -0.98 6 0.42 7 0.42 8 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 5 1 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1