24811 1 2 3 4 5 17 17 17 14 1 1 2 3 4 4 4 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.131 -1.8809 0.7501 -0.0002 -0.0001 -1.5187 -0.2199 1.7385 0.0001 0.0001 0.1884 0.1885 0.1884 -0.5652 -2.0502 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000060EB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.971 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10087049952565788047 16714656 1 17403184694348359518 20096714 4 17984711274799563741 21040471 1 17761498388320744693 23552449 11 18335411370640895147 5943 1 17271403011616276885 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.14 1.9 1.9 0.89 1.02 0.36 0.18 -0.36 -0.26 -1.02 -0.26 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 148.202 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 82.7 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 5 1 -0.37 2 -0.37 3 -0.37 4 1.31 5 -0.2 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 1