262 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 3 15 4 16 4 5 7 6 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 4 5 7 3 1 4 2 3 6 8 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 -0.7966 0.8041 -0.6885 0.6818 -1.8419 1.841 -0.7706 0.7682 -1.8528 -2.8007 -1.7858 2.7958 1.8489 1.7957 -1.6596 0.6877 1.1912 -1.195 0.3485 -0.3432 -0.648 0.6465 0.9848 -0.9788 -1.2302 -0.1198 -1.3355 0.1101 1.2443 1.3211 1.6371 -0.6457 -0.7589 -0.753 0.3866 0.3844 0.3689 0.3719 1.2753 1.2728 -0.5588 0.4142 1.2182 0.4002 -0.5459 1.232 -0.715 -1.5471 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000010600000004 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.1363 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.302 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11167953441432159795 16714656 1 18195813087932384452 20096714 4 18131067181810508016 24536 1 17986383404193681104 29004967 10 18187654664404352419 5943 1 11015648351738658828 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 2.18 1.15 0.83 0 0 -0.05 0 0.36 0 -0.28 0 0 0.25 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 195.933 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 4 3 8 7 6 1 5 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.68 15 0.4 16 0.4 2 -0.68 3 0.28 4 0.28 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 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 6 2 0 2 0 0 0 0 1 1