767 1 2 3 4 5 6 8 8 8 6 1 1 1 1 2 2 3 4 5 4 6 4 1 1 1 1 2 2 5 10 1 2 3 4 5 6 -0.6954 -0.6949 1.3055 0.0847 -0.1635 -0.1627 -1.1061 1.1064 -0.0003 0 -1.9304 1.9305 0 0 0.0001 -0.0001 0.0001 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002FF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.1875 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.482 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9294198727710025410 21015797 1 9727638314554791338 5943 1 14086053616193404316 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 64.71 1.14 1.09 0.53 0.35 0 0 0 0 -0.39 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 113.695 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.65 2 -0.65 3 -0.57 4 0.87 5 0.5 6 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 2 acceptor 1 3 acceptor 4 1 2 3 4 anion 4 0 0 0 0 0 0 0 1 1