61708 1 2 3 4 17 7 7 7 3 1 4 -1 1 2 3 2 3 4 1 2 2 2 -1 1 3 -1 4 3 1 2 5 10 1 2 3 4 -1.7838 -0.4907 0.6267 1.6479 -0.4738 0.6905 0.146 -0.3627 0 0 -0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000F10C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.1641 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 9295293841380779203 20096714 4 9439403531787882319 21015797 1 10086765200433883568 5460574 1 9295294936629114179 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 69.24 2.32 0.77 0.56 0.17 0.02 0 -0.58 0 0.1 0 0.07 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 110.091 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 49.6 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 3 2 -0.32 3 0.69 4 -0.37 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 0 1 0 1 1