769 1 2 3 4 5 8 8 8 6 1 2 -1 1 1 2 3 4 5 4 4 1 1 1 2 2 5 10 1 2 3 4 5 1.3902 -0.9235 -0.521 0.0543 1.8725 -0.2104 -0.9885 1.1913 0.0076 0.6439 0 0 0 -0.0001 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000030100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 22.4086 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.435 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9294749578698369378 20096714 4 17906453221212722304 21015797 1 9727636102636051906 5943 1 9704599616047246093 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 64.71 1.23 1.09 0.53 0.39 0.16 0 -0.21 0 -0.36 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 110.258 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 41.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.79 2 -0.9 3 -0.9 4 1.09 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 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