261 1 2 3 4 5 6 7 8 9 10 11 12 13 8 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 3 4 6 7 5 8 9 10 11 12 13 2 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.9015 -0.9138 -0.0353 -2.3904 1.438 -0.6968 -0.6849 -0.2273 -0.2454 -2.6582 -3.0017 -2.6451 2.109 -0.6791 -0.4607 0.7848 -0.1013 0.4562 -1.0749 -1.0768 1.3866 1.4036 0.4863 -1.0092 0.4818 1.3323 -0.0023 -0.0051 -0.0105 0.0069 0.011 -0.8872 0.8727 -0.9052 0.8687 -0.877 0.0092 0.8977 0.0337 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000010500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.6952 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295289443213000772 16714656 1 18040715848837569709 20096714 4 18339926042461748593 29004967 10 18260832630467769488 5460574 1 9295296036093249697 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 2.96 0.88 0.6 0.73 0.04 0 -0.4 -0.01 -0.17 0 0.04 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 164.937 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 6 2 7 9 4 5 8 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 4 1 -0.57 13 0.06 3 0.06 5 0.45 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 2 1 1 acceptor 1 4 hydrophobe 5 0 0 0 0 0 0 0 1 2