73949 1 2 3 4 5 6 7 8 9 10 11 8 8 7 6 6 6 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 4 6 11 5 7 8 9 10 1 1 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -0.0257 -2.0059 0.0515 1.4116 1.3515 -0.783 2.0595 1.7125 1.9888 1.6245 -0.272 -1.1213 0.0289 1.1137 0.7242 -0.7656 0.0201 1.2447 0.9715 -1.3164 -1.0406 2.0749 -0.0869 0.0096 0.0614 -0.1037 0.119 0.0007 0.6052 -1.1262 -0.5787 1.1433 0.1044 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000120DD00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.0108 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 9367045771064879130 20096714 4 18339081608867809508 21015797 1 9150014261869505960 21040471 1 18338797939178621856 29004967 10 18259992560650235033 5943 1 17411940221530986064 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.76 1.96 1.14 0.57 0.53 0.01 0 -0.02 0.01 -0.28 0 -0.04 0 -0.04 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 211.918 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.2 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 7 1 -0.43 11 0.37 2 -0.57 3 -0.73 4 0.3 5 0.28 6 0.78 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 2 acceptor 1 3 donor 5 1 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 2