17822 1 2 3 4 5 6 7 8 17 9 9 9 9 6 6 1 1 2 3 4 5 6 7 7 6 6 6 7 7 8 1 1 1 1 1 1 1 7 1 5 6 8 3 1 2 5 10 1 2 3 4 5 6 7 8 1.9085 -1.0774 -0.6906 -1.4695 1.1733 -0.6226 0.7783 0.8231 -1.0469 -1.2415 -0.1587 0.898 1.4075 -0.0778 0.2194 0.2995 0.0357 -0.5232 1.3349 -0.4072 0.0495 -0.0105 -0.4792 -1.5686 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000459E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8425 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9799393521763220294 16714656 1 18050568439458831446 20096714 4 18335700507517443541 24536 1 17168430483674015116 29004967 10 18262529087063313226 5943 1 8908498239215030066 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 116.83 2.01 1.24 0.85 0.67 0.16 0.21 -0.29 -0.07 0.15 -0.1 -0.15 -0.09 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 213.491 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.29 2 -0.34 3 -0.34 4 -0.34 5 -0.34 6 1.02 7 0.63 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 0 7 1 0 1 0 0 0 0 1 1