284 1 2 3 4 5 8 8 6 1 1 1 1 2 3 3 5 3 4 1 1 2 1 2 5 10 1 2 3 4 5 -1.1685 1.1146 0.0538 -0.0511 -1.1142 0.1825 0.2103 -0.3927 -1.4875 1.162 0 0 0 0.0002 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000011C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6435 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.278 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856568229821604 21015797 1 18047756180461364166 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50 1.31 0.63 0.54 0.07 0.06 0 -0.17 0 -0.01 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 80.997 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 34.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.65 2 -0.57 3 0.66 4 0.06 5 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 1 2 acceptor 3 1 2 3 anion 3 0 0 0 0 0 0 0 1 1