7847 1 2 3 4 5 6 7 8 8 6 6 6 1 1 1 1 1 2 2 2 3 4 4 3 3 4 5 6 7 8 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -1.7478 0.5936 -0.6303 1.7844 0.4972 -0.4849 2.6939 1.8872 -0.1165 -0.4363 0.3856 0.1672 -1.5148 1.4788 -0.4243 1.2469 -0.0002 0.0002 0.0002 -0.0002 0.0003 0.0002 -0.0002 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EA700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.8652 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 9223230749663399585 20096714 4 18341050804339485800 21015797 1 9150296840594769954 5460574 1 9295292737463381856 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 2.22 0.69 0.59 0.03 0 0 0.07 0 -0.05 0 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 131.457 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 51 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.57 2 -0.14 3 0.5 4 -0.3 5 0.15 6 0.06 7 0.15 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 acceptor 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1