33184 1 2 3 4 5 6 7 8 9 10 11 8 7 7 6 6 1 1 1 1 1 1 1 -1 2 1 1 2 2 3 4 4 4 5 5 5 2 3 4 5 6 7 8 9 10 11 1 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.6966 0.478 -0.5608 0.1963 -1.8101 -0.2983 -0.2978 1.1683 -1.976 -2.6238 -1.9758 0.45 0.0714 0.8076 -1.3707 0.0417 -1.6892 -1.6889 -1.8811 -0.5398 0.7784 -0.5397 0.0002 -0.0003 -0.0001 0 0.0001 -0.92 0.9203 -0.0002 -0.9124 0.0003 0.9128 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000081A000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 20.9602 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 139733 1 9220363219106723363 16714656 1 18336836401934353876 20096714 4 18411700993207504312 21015797 1 9006469724523199851 5943 1 9501544351297855334 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 87.07 1.92 1.15 0.56 0.31 0.43 0 -0.33 0 -0.15 0 0.04 0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 150.606 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.7 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 -0.63 2 0.74 3 -0.45 4 0.1 5 0.25 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 1 1 anion 5 0 0 0 0 0 0 0 1 1