10008 1 2 3 4 5 6 7 8 9 10 11 12 9 6 6 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 2 3 4 5 8 6 9 7 10 7 11 12 1 2 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -2.3436 -1.0043 -0.3069 -0.3068 1.088 1.088 1.7855 -0.8501 -0.8501 1.631 1.6311 2.8716 0 0 1.208 -1.2079 1.2079 -1.208 0 2.1483 -2.1483 2.1485 -2.1485 0.0001 -0.0001 0.0002 0 0 0 0 0 -0.0001 -0.0001 -0.0001 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000271800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 13.2194 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 18185500 45 18412821382634343967 20096714 4 18339080513682713098 21040471 1 18194683889295505668 23552423 10 17757003202893334462 29004967 10 18334019375744890241 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 136.78 2.14 1.48 0.6 0.63 0 0 0 0 -0.27 0 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 282.953 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 78.5 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 12 1 -0.19 10 0.15 11 0.15 12 0.15 2 0.19 3 -0.15 4 -0.15 5 -0.15 6 -0.15 7 -0.15 8 0.15 9 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 1 6 2 3 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 1