58177603 1 2 3 4 5 6 7 8 9 10 8 8 8 6 6 1 1 1 1 1 3 -1 1 1 2 2 4 4 4 5 5 3 4 5 10 5 6 7 8 9 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.1805 2.3495 -2.3381 -0.0445 1.2135 -0.0404 -0.0459 1.2437 1.252 3.1361 -0.5173 0.3474 0.3398 0.3386 -0.5086 0.993 0.9794 -1.1558 -1.1487 -0.2242 -0.0042 -0.0054 -0.0013 0.0067 0.0042 -0.8762 0.8995 -0.8787 0.8919 -0.0068 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0377B84300000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.02.08 5.002 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223230749647549352 20096714 4 18411138077766711216 29004967 10 16298390140850019208 5460574 1 9295290542814214883 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.02.08 85.29 3.04 0.73 0.55 0.35 0.04 0 -0.37 -0.01 -0.05 0 -0.03 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.289 Shape Volume 7 1.8.1 OEShape openeye.com 2012.02.08 59.1 Conformer RMSD 7 2012.02.08 0.4 Diverse Conformer ID List 6 2012.02.08 2 9 5 4 7 8 6 3 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.57 10 0.4 2 -0.68 3 -0.71 4 0.28 5 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.02.08 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 1 2 donor 5 0 0 0 0 0 0 0 1 1