10901 1 2 3 4 5 6 7 8 7 7 6 6 1 1 1 1 1 1 1 2 3 3 3 3 7 8 4 4 5 6 1 1 1 3 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.6838 -1.7524 0.7255 -0.6569 0.8955 0.8995 1.601 2.63 0.4834 0.2572 -0.6147 -0.1258 -1.2332 -1.2479 1.0111 0.1044 0 0 0 0.0001 0.8874 -0.8764 -0.8686 0.0086 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002A9500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.0277 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222072964040911106 20096714 4 18412545435401869016 21015797 1 8357382922038259603 5460574 1 9295291637941211075 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 72.36 2.12 0.75 0.57 0.14 0.06 0 -0.41 0 -0.15 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 121.74 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.99 2 -0.56 3 0.47 4 0.36 7 0.36 8 0.36 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 3 1 1 cation 1 1 donor 1 2 acceptor 4 0 0 0 0 0 0 0 1 1