643833 1 2 3 4 5 6 17 17 6 6 1 1 1 2 3 3 4 3 4 4 5 6 1 1 2 1 1 3 1 5 4 2 6 1 1 2 5 10 1 2 3 4 5 6 1.5899 -1.5903 0.6654 -0.665 1.2713 -1.2707 0.7209 0.7205 -0.7207 -0.7207 -1.6162 -1.6163 0 0 0 0 0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0009D2F900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.0904 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 18410856563934802341 21015797 1 18338794503136343206 5943 1 15405305047957225410 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 86.06 2.17 1.15 0.64 0 0.01 0 0.76 0 0 0 0 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 132.906 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.9 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 -0.14 2 -0.14 3 -0.01 4 -0.01 5 0.15 6 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 0 4 0 0 0 1 1 0 0 1 1