17913 1 2 3 4 5 6 7 8 9 10 8 8 8 8 6 6 6 6 1 1 1 1 2 2 3 4 5 5 6 7 5 9 6 10 7 8 6 7 8 8 1 1 1 1 2 2 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.6398 1.6404 -1.6383 -1.6378 0.729 0.729 -0.731 -0.731 1.2134 2.5103 -1.574 1.5735 -1.5281 1.5286 -0.6789 0.6789 -0.7383 0.7383 -2.4489 1.1364 0.0005 -0.0014 -0.0014 0.0002 0.0003 0.0004 0.0004 0.001 0.0004 -0.0021 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000045F900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 14.8468 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.373 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17762341310191671054 21040471 1 18266740164678285920 23552423 10 18261397784066454710 29004967 10 17902517321772622227 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 141.16 2 1.86 0.56 0 0 0 0 0 0.03 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 301.51 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.2 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 10 1 -0.53 10 0.45 2 -0.53 3 -0.57 4 -0.57 5 0.01 6 0.01 7 0.64 8 0.64 9 0.45 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 5 1 1 donor 1 2 donor 1 3 acceptor 1 4 acceptor 4 5 6 7 8 rings 8 0 0 0 0 0 0 0 1 2