167693 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 14 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 1 3 -1 1 1 1 1 2 2 4 4 4 5 5 5 6 6 6 7 4 5 6 7 3 7 8 9 10 11 12 13 14 15 16 17 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 -1 3 7 1 17 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 -0.9204 1.8279 2.8216 -1.0097 -2.3811 -1.0132 0.6749 -0.1793 -0.9601 -1.946 -3.3243 -2.3592 -2.361 -0.1825 -1.9493 -0.9661 0.6514 0.0117 -0.3194 0.2411 1.0937 -1.1673 1.099 -0.959 1.8058 0.4841 1.6595 -0.6131 -1.8094 -1.8065 1.8107 1.6652 0.4924 -2.0586 0 0.0011 -0.0006 -1.5308 0.0004 1.527 0.003 -1.5505 -2.438 -1.5492 -0.0014 -0.8851 0.8881 1.5463 1.541 2.4362 0.0072 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00028F0D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2181 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 137420 1 15364721438489729153 14128692 85 18048040958600598783 23552449 1 17967523554293982276 24536 1 17914887643491751154 29004967 10 17676496080943931827 5084963 1 18334858316313131778 5943 1 9059139020602172421 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 152.31 3.09 1.33 1.31 2.25 0.01 -0.01 -0.56 0 -0.59 0 -0.58 0.69 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 255.794 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 103.4 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 0.43 17 0.06 2 0.36 3 -0.37 4 -0.08 5 -0.08 6 -0.08 7 -0.24 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 1 1 2 acceptor 7 0 0 0 1 0 1 0 1 1