11666 1 2 3 4 5 6 17 17 17 17 16 6 1 2 3 4 5 6 6 6 5 6 1 1 1 1 1 2 5 10 1 2 3 4 5 6 0.4307 0.4777 2.0235 -2.51 -0.9018 0.4799 1.0653 0.99 -0.9203 0.057 -1.1909 -0.0011 1.4335 -1.488 0.0482 -0.0013 0.008 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002D9200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7585 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 8700635918171263266 16714656 1 17896033256674167935 20096714 4 17460041888272516271 24536 1 17753037582173745367 29004967 10 17603311435794919146 5084963 1 18334294288502338699 5943 1 14454963952557984392 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 134.81 2.64 1.4 1.37 1.27 0.07 -0.05 0.62 0.02 -0.23 0.03 -0.34 -0.73 -0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 197.287 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 100.6 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 -0.29 2 -0.29 3 -0.29 4 -0.07 5 -0.16 6 1.1 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 6 0 0 0 0 0 0 0 1 1