3082075 1 2 3 4 5 6 7 8 16 16 8 8 8 8 8 8 3 -1 4 -1 1 1 1 1 2 2 2 2 3 5 6 4 7 8 1 1 2 2 1 2 2 2 5 10 1 2 3 4 5 6 7 8 1.0555 -1.0556 1.3503 -1.3505 1.3506 1.3506 -1.3504 -1.3505 0 0 -0.818 0.6051 -0.6052 1.4231 0.818 -1.423 0.0001 0 1.171 1.2938 -1.2937 0.1228 -1.1709 -0.123 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 002F075B00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 7.3069 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.75 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21040471 1 17386838422587524437 24536 1 17988923370527267177 29004967 10 17916328077039132358 5084963 1 18120651602702873552 5943 1 16595922162429905922 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 137.12 2.13 1.22 1.22 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 243.649 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 88.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 1.45 2 1.45 3 -0.82 4 -0.82 5 -0.82 6 -0.82 7 -0.82 8 -0.82 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 8 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 4 1 3 5 6 anion 4 2 4 7 8 anion 8 0 0 0 0 0 0 0 1 1