61179 1 2 3 4 5 6 7 8 35 35 35 35 6 6 1 1 1 2 3 4 5 6 6 5 5 5 6 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -2.2001 -0.2537 -0.2626 2.4771 -0.4417 0.681 0.6389 0.6493 -0.1392 1.7561 -1.4203 -0.0392 0.0261 -0.1835 -1.1709 0.5694 0.8844 -0.8885 -1.3257 0.2744 0.0235 1.032 1.505 1.8273 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000EEFB00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 9.0186 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 26.312 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137420 1 17319527570597044749 15310529 11 18261673667275450722 16714656 1 18413384337056669438 24536 1 17098304577121333954 29004967 10 17894914052684468088 5943 1 9964197202062746557 68250623 7 17613746002963895171 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 147.25 2.79 1.63 1.46 0.81 0.31 -0.21 -0.13 1.22 -0.21 -0.99 -0.24 -0.17 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 212.221 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 114 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.23 2 -0.23 3 -0.23 4 -0.23 5 0.69 6 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 5 1 1 hydrophobe 1 2 hydrophobe 1 3 hydrophobe 1 4 hydrophobe 4 1 2 3 5 hydrophobe 6 0 0 0 0 0 0 0 1 1