11199 1 2 3 4 5 6 7 8 6 6 1 1 1 1 1 1 2 2 3 3 2 7 3 4 5 6 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 -1.2048 0.0133 1.1915 -0.0776 2.1168 1.2484 -1.8807 0.2045 -0.4159 0.2114 -1.4934 -0.3534 1.2942 -0.4957 0 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002BBF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7345 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856576904145732 21015797 1 18119811562670249446 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.87 1.47 0.67 0.58 0.03 0.04 0 -0.2 0 -0.02 0 -0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 89.071 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 39.5 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 7 1 -0.53 2 -0.07 3 -0.3 4 0.15 5 0.15 6 0.15 7 0.45 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 1 donor 3 0 0 0 0 0 0 0 1 2