24638 1 2 3 4 5 6 17 16 8 8 8 1 1 2 2 2 3 2 3 4 5 6 1 1 2 2 1 2 5 10 1 2 3 4 5 6 1.8494 -0.1524 -0.9035 -0.3967 -0.3968 -0.6994 -0.0006 0.0002 -0.0024 1.2683 -1.2655 -0.7725 -0.3131 0.1106 -1.3343 0.7662 0.7706 -1.9152 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000603E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7637 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.351 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10445996445692182122 20096714 4 17695363485728196680 21015797 1 8861218835440949763 24536 1 18410303510155684908 5943 1 13592454796063896987 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.01 1.6 1.1 1.09 1.23 0 -0.33 0 -0.2 -0.26 0.38 -0.34 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 143.505 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.9 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 -0.19 2 1.67 3 -0.68 4 -0.65 5 -0.65 6 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 4 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1