68157 1 2 3 4 5 6 7 8 9 10 8 7 6 6 6 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 3 5 4 5 4 6 7 8 9 10 1 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.0047 1.2155 -0.9775 0.4772 0.2895 -1.3466 -1.6203 0.6582 0.7972 0.4342 0.6686 0.1464 -0.7409 -1.114 1.0398 -0.9915 -1.2198 -1.5388 -1.8475 2.127 0.0671 -0.0495 -0.0921 0.0851 -0.0106 -1.0922 0.6525 1.0786 -0.6613 -0.0376 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00010A3D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.5547 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 9078024846005382143 20096714 4 18411423886170303193 21015797 1 9295289443160194786 5943 1 17266325329480325182 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.05 1.32 1.25 0.58 0.04 0.05 0 -0.01 -0.03 0.04 0.03 0.02 0.01 0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 180.024 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.7 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 6 1 -0.43 10 0.06 2 -0.7 3 0.28 4 0.25 5 0.54 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1