6058 1 2 3 4 5 6 7 8 9 10 11 16 7 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 11 3 9 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 2.108 -1.943 -0.6185 0.4536 -0.5276 -0.5247 0.3662 0.3642 -2.0578 -2.6531 2.7963 0.1744 -0.1066 0.5074 -0.5752 1.1418 1.1482 -1.213 -1.2133 -0.6755 0.6228 -0.9766 0.0001 0.0001 -0.0001 -0.0001 0.8886 -0.8843 -0.8862 0.8855 -0.8378 -0.0506 0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000017AA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.6565 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288343717164769 16714656 1 18272371992211224782 20096714 4 18411138056466000024 21015797 1 9150297940037838947 5460574 1 9223234044082631200 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 81.19 2.78 0.78 0.62 0.2 0 0 -0.15 0 0.06 0 0.09 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 122.972 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.6 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 7 1 -0.41 10 0.36 11 0.18 2 -0.99 3 0.27 4 0.23 9 0.36 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 2 1 2 cation 1 2 donor 4 0 0 0 0 0 0 0 1 1