24816 1 2 3 4 5 17 17 17 17 14 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 0.2563 1.4504 -1.8192 0.1127 -0.0002 -1.3559 1.4142 0.8785 -0.9372 0.0004 1.4872 0.1169 0.1915 -1.7957 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000060F000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.2578 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 137420 1 12053239144135099789 16714656 1 10870898504983205393 24536 1 11894096286645735200 5943 1 15516201661885317120 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 128.59 1.7 1.7 1.7 0.66 0.09 0.45 0.94 -0.17 -0.45 -0.28 -0.21 -1.03 -0.06 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 186.995 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 96.4 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 5 1 -0.37 2 -0.37 3 -0.37 4 -0.37 5 1.48 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