2146 1 2 3 4 5 6 7 8 9 10 11 7 7 7 7 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 7 5 8 9 4 5 10 11 1 1 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -1.6963 -0.411 0.7072 1.8165 -0.4164 -1.86 -2.509 -1.2769 0.451 1.8239 2.6337 -0.569 1.3174 -0.7278 0.0369 -0.0576 -1.5699 0.0375 1.8456 1.85 0.6467 -0.5659 -0.0001 0.0007 0.0013 -0.0007 -0.0012 0.0008 -0.0014 0.0034 -0.0273 0.8164 0.0811 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000086200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 19.7375 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.278 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223238442034281219 20096714 4 17905892470213945784 21015797 1 9654991373699709131 5943 1 12502760127971195717 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.97 1.87 1.03 0.54 0.31 0.32 0 -0.31 0 -0.16 0 -0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 147.935 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.9 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 11 1 -0.85 10 0.36 11 0.36 2 -0.85 3 -0.5 4 -0.67 5 0.55 6 0.4 7 0.4 8 0.4 9 0.4 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 donor 1 2 donor 4 1 2 3 5 cation 5 0 0 0 0 0 0 0 1 2