880 1 2 3 4 5 6 7 8 9 8 8 6 6 6 1 1 1 1 1 2 3 3 3 3 4 5 4 5 4 6 7 8 5 9 2 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -0.4619 1.8689 -1.7332 -0.4876 0.8137 -1.7575 -1.7647 -2.6085 0.726 1.3215 -0.0412 -0.7303 0.1006 -0.6506 -1.3608 -1.3471 -0.0749 -1.7483 0.0001 0.0005 0.0005 -0.0007 -0.0004 -0.8919 0.9021 -0.0085 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000037000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.1777 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.155 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295298235127158691 16714656 1 18343028812767445086 20096714 4 17905329524560734048 21015797 1 9727048972053722867 21040471 1 17834394523173046436 29004967 10 18336551619854112763 5460574 1 9295297135462628067 5943 1 14462037123675862777 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 2.05 1.07 0.58 0.21 0.28 0 -0.49 0 -0.2 0 -0.03 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 163.584 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.57 2 -0.57 3 0.06 4 0.51 5 0.51 9 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 1 2 acceptor 5 0 0 0 0 0 0 0 1 2