7859 1 2 3 4 5 6 7 8 8 6 6 6 1 1 1 1 1 1 2 2 2 3 4 2 7 3 5 6 4 8 1 1 1 1 1 3 1 2 5 10 1 2 3 4 5 6 7 8 -1.6526 -0.7514 0.6336 1.7704 -0.9541 -0.9608 -1.5237 2.7789 -0.4924 0.6074 0.1352 -0.2502 1.2068 1.2273 -0.9781 -0.5921 0 0 0.0001 0 -0.8924 0.8771 0.8328 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EB300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8269 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223235147688792193 20096714 4 18041286486745728932 21015797 1 10230881483821377928 5460574 1 9295290542872237152 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 2.21 0.76 0.59 0.14 0.04 0 -0.38 0 -0.13 0 0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 129.586 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 51.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.68 2 0.48 3 -0.2 4 -0.18 7 0.4 8 0.18 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 1 donor 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1