67519 1 2 3 4 5 6 7 7 7 7 7 6 1 1 1 1 1 2 3 4 5 2 3 6 5 4 5 7 1 1 1 2 2 1 1 2 5 10 1 2 3 4 5 6 7 -0.2582 -1.2111 1.0075 0.8993 -0.4375 -0.4817 -0.8539 -1.0357 -0.0931 -0.5949 0.7281 0.9956 -2.0252 1.991 0.0001 -0.0001 -0.0001 0.0001 0 -0.0002 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000107BF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.2645 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222932777685682467 20096714 4 18411423911945459673 21015797 1 9223230745331522017 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.97 1.22 1.14 0.54 0 0.03 0 -0.01 0 -0.01 0 -0.02 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 164.947 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 50.4 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 7 1 0.57 2 -0.71 3 -0.42 4 -0.23 5 0.37 6 0.27 7 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 2 3 2 4 5 cation 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 2