139862 1 2 3 4 5 17 17 17 14 9 1 2 3 4 4 4 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.8713 -1.1968 -0.6745 0 0 -0.3017 -1.4699 1.7712 0 0.0003 0.6178 0.6176 0.618 -0.1303 -1.7231 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0002225600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.7591 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 15825820395656531225 24536 1 10864884335456889873 5943 1 12692050245727551501 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 119.45 1.74 1.74 1.26 0.93 0.23 0.57 -0.23 -0.53 -0.93 -0.53 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 178.561 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 89.1 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 5 1 -0.37 2 -0.37 3 -0.37 4 1.52 5 -0.41 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 5 0 0 0 0 0 0 0 1 1