168934 1 2 3 4 5 6 7 8 9 10 15 8 8 8 8 8 6 1 1 1 1 1 1 1 2 3 4 6 7 2 3 4 5 7 8 9 7 10 1 1 1 2 1 1 1 2 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.9309 -0.5844 1.1024 1.8232 1.2564 -2.8373 -1.6913 1.9306 2.7981 -1.425 0.0921 -0.3165 -0.4806 -0.9206 1.5465 -0.1121 0.1913 -0.2887 -0.8122 0.9206 0.0196 0.413 -1.4828 0.9099 0.1942 0.1189 -0.1727 -1.9722 0.9183 -0.9524 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000293E600000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 -26.4906 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 25.409 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18268710682809965889 21040471 1 17531253919050506827 23552449 11 18411694383268491201 24536 1 17846506932459212443 29004967 10 17274823540967081427 5460574 1 12103845665836760115 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 118.56 3.03 1.01 0.96 2.3 0.34 0.33 -0.22 -0.28 -0.58 -0.13 -0.47 -0.21 -0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 204.83 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 78.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 1.51 10 0.06 2 -0.42 3 -0.77 4 -0.77 5 -0.7 6 -0.57 7 0.66 8 0.5 9 0.5 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 4 1 3 4 5 anion 7 0 0 0 0 0 0 0 1 1