6497 1 2 3 4 5 6 7 8 9 10 11 12 13 16 8 8 8 8 6 6 1 1 1 1 1 1 1 1 1 1 2 3 6 6 6 7 7 7 2 3 4 5 6 7 8 9 10 11 12 13 1 1 2 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 -0.0001 -1.2746 1.2746 0 0 -2.5838 2.5838 -2.7862 -2.6954 -3.3016 2.6953 2.7861 3.3016 0.205 -0.6168 -0.6168 0.0292 1.5339 -0.2673 -0.2673 0.7838 -0.4498 -0.8891 -0.4498 0.7838 -0.8891 0.1056 -0.505 -0.505 1.5464 -0.4782 -0.0819 -0.0818 -0.3062 0.9905 -0.6227 0.9905 -0.3061 -0.6226 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000196100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.9514 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.166 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11097855194015287919 16714656 1 18411134701869623743 24536 1 18052236673644821175 29004967 10 18408610274574804874 5460574 1 12323957989364850599 5943 1 17698487399820229089 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 124.43 3.17 0.97 0.95 0 0.29 0.37 -0.85 -0.26 0 -0.21 0 0.12 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 211.961 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 84.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 6 4 5 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 7 1 1.67 2 -0.46 3 -0.46 4 -0.65 5 -0.65 6 0.28 7 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 2 1 4 acceptor 1 5 acceptor 7 0 0 0 0 0 0 0 1 1