6574 1 2 3 4 5 6 7 8 17 17 17 6 6 1 1 1 1 2 3 4 4 5 5 4 4 5 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -1.1028 -1.1031 1.9144 -0.6027 0.8942 -1.159 1.1696 1.1698 -1.4607 1.4606 0.0001 0 0.0001 0 0.8834 -0.8831 -0.3601 -0.3602 -0.6351 0.5282 0.8272 1.4701 1.4127 1.4128 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019AE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.6037 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 10738096088939908787 16714656 1 18410584984768418045 20096714 4 17532662230305703636 21040471 1 18194951946757512457 24536 1 17275383205365343600 5943 1 12966556650964477449 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 108.51 2.12 1.52 0.96 1.02 0 -0.06 0 0.47 -0.97 0.31 0.18 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 163.036 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.29 2 -0.29 3 -0.29 4 0.58 5 0.29 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 5 0 0 0 0 0 0 0 1 1