23577 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 6 -1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 2 6 3 4 5 7 8 9 10 11 12 13 14 15 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1.0055 -0.4291 -0.9146 -0.9147 -0.9149 2.1677 -0.5493 -2.0088 -0.5495 -0.5496 -0.5494 -2.0088 -0.5498 -2.009 -0.5498 0.0002 0 0.209 -1.3469 1.1378 0 -0.586 0.2166 1.1594 -1.521 -2.1735 -1.3967 2.107 1.1797 1.0142 0.0001 0 -1.4345 0.5362 0.8982 0 -2.0946 -1.4876 -1.8402 1.5548 -0.0839 0.5559 0.5396 0.9313 1.9242 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005C1900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.9675 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 17700703852200793888 24536 1 18413105065640846192 29004967 10 17343478270949826983 5943 1 12655698355725592967 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 118.5 2.02 1.15 1.15 1.63 0.29 0.27 0 0 -0.49 -0.27 -0.49 -0.29 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 211.748 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 78.4 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 3 1 0.1 2 0.27 6 -0.37 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 1 4 2 3 4 5 hydrophobe 6 0 0 0 0 0 0 0 1 1