5976 1 2 3 4 5 6 7 8 9 10 11 12 7 7 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 2 3 4 11 12 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 0.003 -0.1356 1.265 -1.1324 1.3201 1.4001 2.1149 -1.0733 -1.1843 -2.0757 0.6138 -0.0347 -0.0026 1.3409 -0.5563 -0.782 -0.5807 -1.5787 0.0269 -1.8124 -0.8138 -0.3686 1.919 1.3631 0.3662 -0.1214 -0.123 -0.1218 -1.2182 0.2478 0.2508 0.2467 -1.2171 0.2543 0.2569 -1.1358 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000175800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.1824 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8718835283652916534 20096714 4 17111845423484021013 21015797 1 9798817398765261506 5943 1 10858643709120090430 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 72.36 1.4 1.21 0.61 0.04 0.43 -0.01 -0.51 -0.08 -0.03 -0.08 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 115.936 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.8 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 6 1 -0.54 11 0.36 12 0.36 2 -0.72 3 0.27 4 0.27 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 1 1 2 donor 4 0 0 0 0 0 0 0 1 1