65578 1 2 3 4 5 6 17 17 8 8 6 6 1 2 3 4 5 5 6 5 6 6 1 1 2 2 1 2 5 10 1 2 3 4 5 6 -1.6308 1.6304 -1.1014 1.1018 -0.727 0.727 -0.9896 -0.9926 0.8766 0.8802 0.1125 0.1129 -0.7869 0.7835 1.0499 -1.0468 0.1727 -0.1723 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001002A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.2584 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 13383991244329174084 20096714 4 18120972522374361612 21040471 1 17487074262072859001 29004967 10 17313670339106614282 5943 1 18409450249908125703 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 115.48 2.16 1.17 1.1 0 0.13 0 0.8 0 0 0 0 -0.24 -0.61 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 200.076 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 4 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.21 2 -0.21 3 -0.57 4 -0.57 5 0.78 6 0.78 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 6 0 0 0 0 0 0 0 1 1