1146 1 2 3 4 5 6 7 8 9 10 11 12 13 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 11 12 13 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 0 -0.5373 -0.8388 1.3762 -1.5537 0.0664 -0.5653 -1.8607 -0.8825 -0.4611 1.7943 1.448 2.0148 0 -1.2788 1.1047 0.1741 -1.4294 -2.1102 -1.3456 0.9976 1.1624 2.0603 1.1125 0.1832 -0.6309 0.3474 -0.1158 -0.1158 -0.1158 0.2649 0.265 -1.2096 0.2649 -1.2095 0.265 0.265 -1.2095 0.2649 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000047A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.3686 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8861017526097598486 20096714 4 18191589644631994628 21015797 1 9799149447018708378 5943 1 12637476492957706589 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.34 1.36 1.36 0.63 0.45 0.29 -0.01 -0.29 -0.08 -0.45 -0.08 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 124.678 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.7 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 4 1 -0.81 2 0.27 3 0.27 4 0.27 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 1 1 1 cation 4 0 0 0 0 0 0 0 1 1