10964458 1 2 3 4 5 6 7 8 9 9 9 8 8 6 6 1 8 3 1 2 3 4 4 5 6 6 6 6 7 8 7 7 1 1 1 1 1 2 1 2 5 10 1 2 3 4 5 6 7 8 -1.0424 -1.1444 -1.1181 1.456 1.546 -0.5949 0.8978 2.4361 1.2672 -0.6045 -0.6317 1.1635 -1.1092 -0.0134 -0.0718 1.1227 -0.0207 1.092 -1.0871 0.0006 0 0.0013 0.0139 -0.01 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00A74DEA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.9375 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.28 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18338798888377086688 21015797 1 8574446338724931852 24536 1 18040713684105539060 29004967 10 18192148424240652483 5943 1 13894314271967052071 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 110.5 1.78 1.16 0.81 0.35 0.22 0 -0.06 0.01 0.19 -0.01 -0.32 -0.18 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 213.903 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.2 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 8 1 -0.34 2 -0.34 3 -0.34 4 -0.65 5 -0.57 6 1.08 7 0.66 8 0.5 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 3 1 4 acceptor 1 5 acceptor 3 4 5 7 anion 7 0 0 0 0 0 0 1 1 1