5237 1 2 3 4 5 6 7 8 9 8 8 6 6 1 1 1 1 2 2 3 4 4 4 4 5 8 5 5 6 7 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.8596 -1.5816 -0.5473 0.7645 -0.4951 0.806 0.8109 -2.4195 0.0805 -0.7315 1.2997 -0.7275 0.0789 -1.3591 -1.3359 -0.2212 0.0064 0.0048 -0.0021 -0.0079 -0.0012 0.8829 -0.9144 0.0087 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000147500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.5902 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.279 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295300434124046979 20096714 4 17905611003827124248 21015797 1 9655277246749330635 5943 1 15024635929155674681 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.89 1.79 1.07 0.55 0.47 0.2 0 -0.21 0 -0.25 0 0 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 150.369 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.34 2 -0.65 3 -0.57 4 0.4 5 0.66 8 0.5 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 3 1 2 acceptor 1 3 acceptor 3 2 3 5 anion 5 0 0 0 0 0 0 0 1 1