3520 1 2 3 4 5 6 7 8 9 7 7 7 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 6 4 7 8 4 9 1 1 1 1 1 1 2 1 2 5 10 1 2 3 4 5 6 7 8 9 -0.7372 -0.6615 1.3504 0.0483 -0.3272 -1.7495 -0.1948 -1.6757 1.7069 -1.1253 1.1693 -0.0414 -0.0026 -2.053 -1.0635 2.0697 1.1725 0.9207 0 0 0 0 -0.0003 -0.0009 0.0004 0.0009 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000DC000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.3667 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.43 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18050568443516421732 20096714 4 9005968351642774718 21015797 1 18409170999756168364 5943 1 16193663015450613511 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 67.38 1.19 1.15 0.54 0.41 0.04 0 -0.04 0 -0.43 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 116.219 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 9 1 -0.85 2 -0.85 3 -0.85 4 0.55 5 0.4 6 0.4 7 0.4 8 0.4 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 donor 1 2 donor 1 3 donor 4 1 2 3 4 cation 4 0 0 0 0 0 0 0 1 1