9257 1 2 3 4 5 6 7 8 7 7 7 6 6 1 1 1 1 1 1 2 3 3 4 5 2 4 6 5 4 5 7 8 1 1 1 2 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.5509 1.1852 -1.087 -0.7991 0.15 1.094 -1.4981 0.3019 0.9639 -0.2183 -0.4827 0.7981 -1.0609 1.8191 1.6215 -2.13 0 0.0001 0.0002 -0.0001 -0.0002 0.0001 -0.0002 -0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.6251 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 23.046 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18267307525573682752 21015797 1 9223230745342026051 5943 1 8482639772084875473 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 87.95 1.26 1.16 0.56 0.02 0.02 0 -0.01 0 -0.01 0 0.01 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 178.286 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.1 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 8 1 0.3 2 -0.71 3 -0.57 4 0.04 5 0.37 6 0.27 7 0.15 8 0.15 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 4 1 1 donor 3 1 3 4 cation 3 2 3 5 cation 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 2