7861 1 2 3 4 5 6 7 8 9 10 8 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 2 3 5 6 7 4 8 9 10 1 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.5506 1.7483 -0.5272 -1.7717 2.5641 1.6695 1.9902 -0.3097 -2.5852 -1.9956 0.5121 -0.2328 -0.2973 0.0179 0.4751 -0.8861 -0.8192 -1.2536 -0.6832 0.9778 0.0712 -0.1202 0.2071 -0.1581 -0.2937 -0.9963 0.773 0.6649 -0.009 -0.6101 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EB500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.7932 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11097858496966405742 20096714 4 12540702530441595878 21015797 1 9797961978782051395 5460574 1 9295291637888483055 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 2.39 0.68 0.62 0.13 0.01 0.01 0.1 0.21 0.02 -0.01 -0.02 0.02 0.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 127.016 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.36 10 0.15 2 0.28 3 -0.07 4 -0.3 8 0.15 9 0.15 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 1 1 1 acceptor 4 0 0 0 0 0 0 0 1 1