12694 1 2 3 4 5 6 7 8 9 17 17 8 7 6 6 1 1 1 1 2 3 4 4 4 5 5 5 5 6 6 8 9 6 7 1 1 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -1.4528 -1.4532 0.9872 1.7673 -0.6177 0.7692 -0.6047 1.5764 2.7444 1.4602 -1.46 0.0003 -0.0003 -0.0001 -0.0001 -0.0003 -0.0005 -0.0002 -0.0284 -0.0288 -1.2788 0.8806 0.5243 -0.0689 1.6173 1.8773 0.6069 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000319600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.693 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8717734659876511299 16714656 1 18122377698503307917 20096714 4 17170144506179631205 21040471 1 18193845838234036537 23552449 1 18341600555695032297 24536 1 17346608443067536184 29004967 10 18051414268732622907 5943 1 12966295886256764317 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 116.37 2.1 1.42 0.96 0.31 0 -0.15 0 0.19 -1.12 -0.03 0.36 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 196.916 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 79.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 2 4 3 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.29 2 -0.29 3 -0.57 4 -0.8 5 0.64 6 0.57 8 0.37 9 0.37 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 3 acceptor 1 4 donor 6 0 0 0 0 0 0 0 1 2