2754594 1 2 3 4 5 6 7 8 16 8 8 8 8 8 1 1 1 1 1 1 2 3 6 2 3 4 5 6 7 8 1 1 2 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.4303 -0.9137 1.6393 0.4079 0.555 -2.1187 1.5868 -2.2521 -0.011 -0.0094 0.1473 1.1893 -1.3163 0 -0.4526 0.9625 -0.1159 0.8129 0.9678 -0.9303 -0.7371 0.0025 1.7486 0.0353 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 002A082200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.1428 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.356 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8140359040683887127 20096714 4 17753349843270273117 24536 1 18264794141119550841 5943 1 17687440769926065532 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.98 1.86 1.02 1 0.94 0.1 0.04 -0.03 0.43 -0.24 -0.38 -0.24 -0.07 0.05 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 165.026 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 1.67 2 -0.18 3 -0.68 4 -0.65 5 -0.65 6 -0.4 7 0.5 8 0.4 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 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 4 1 3 4 5 anion 6 0 0 0 0 0 0 0 1 1