4989215 1 2 3 4 5 6 7 8 9 10 11 12 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 2 3 7 4 8 5 9 6 10 6 11 12 2 1 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -0.0383 -1.1935 1.1536 -1.1846 1.2235 0.0392 -0.0671 -2.095 2.0199 -2.1149 2.1839 0.07 1.3475 0.6686 0.7351 -0.719 -0.6507 -1.3816 2.3667 1.2655 1.3821 -1.2769 -1.1549 -2.4671 0 0 0 -0.0001 0 0.0001 0 0.0001 0 -0.0001 0 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 004C211F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 13.2128 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18338811060572684710 20096714 4 18411140203590854459 21015797 1 9295287244136952230 21040471 1 18410575110496322629 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 118.5 1.59 1.5 0.6 0 0.03 0 -0.03 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 241.864 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.2 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 12 1 -0.18 10 0.15 11 0.15 12 0.15 2 0.21 3 0.21 4 -0.15 5 -0.15 6 -0.15 7 0.46 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 1 donor 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1