9261 1 2 3 4 5 6 7 8 9 10 7 7 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 5 5 6 3 5 4 6 4 7 8 6 9 10 2 1 2 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.4024 -1.4023 0.6881 -0.6895 0.6895 -0.6881 1.2601 -1.2626 1.2626 -1.2601 -0.0008 0.0008 -1.1439 -1.143 1.1431 1.1438 -2.0635 -2.0619 2.062 2.0634 0 0.0001 0 -0.0001 0 -0.0001 0.0001 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 14.9403 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.227 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18411140268025887425 21015797 1 9294416430927708195 21040471 1 18338517434854055045 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 113.52 1.54 1.47 0.59 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 231.003 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 64.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.62 10 0.15 2 -0.62 3 0.16 4 0.16 5 0.16 6 0.16 7 0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 1 2 acceptor 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1