6575 1 2 3 4 5 6 17 17 17 6 6 1 1 2 3 4 5 4 4 5 5 6 1 1 1 2 1 2 5 10 1 2 3 4 5 6 -2.0627 -0.3464 2.2432 -0.4721 0.6379 0.6252 0.7061 -1.6917 0.1743 0.0342 0.7771 1.86 0 0.0001 0 -0.0002 0.0001 0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019AF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.5002 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 9292807841274499746 16714656 1 18334297565113966764 20096714 4 18409448093840032249 21040471 1 18410575080452572608 29004967 10 15140959547848206872 5460574 1 9223230745384503392 5943 1 10858765471617031391 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 108.51 2.7 1.46 0.64 0.54 0.83 0 -0.85 0 -0.31 0 0 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 170.311 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 77.6 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 6 1 -0.14 2 -0.14 3 -0.14 4 0.28 5 -0.01 6 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 0 5 0 0 0 0 0 0 0 1 1