66110 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 14 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 2 3 4 5 15 6 7 8 9 10 11 12 13 14 1 1 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 0.0002 0.0005 1.7535 -1.0172 -0.737 2.209 1.7576 2.372 -1.0201 -0.6046 -2.0524 -1.7679 -0.1572 -0.7388 0.4974 0 0.0004 -0.1619 -1.4379 1.5994 -1.0945 -0.1623 0.6714 -1.4415 -2.3901 -1.3659 1.7181 2.4601 1.6034 0.7028 0.059 1.7323 -0.5976 -0.5965 -0.5972 -0.2516 -1.6916 -0.2515 -1.6905 -0.2505 -0.2501 -0.251 -0.2512 -1.6912 2.1845 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001023E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.2055 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 20096714 4 15882051623613943997 24536 1 17260726960217681391 29004967 10 12883601990462477661 5943 1 10816606961513005068 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 115.24 1.54 1.54 1.28 0.72 0.15 0.64 -0.15 -0.44 -0.72 -0.44 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 181.105 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 82.3 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 6 1 0.54 15 0.4 2 -0.7 3 -0.08 4 -0.08 5 -0.08 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 0 5 0 0 0 0 0 0 0 1 1