62754 1 2 3 4 5 6 7 8 17 17 8 8 6 6 1 1 1 2 3 3 4 5 5 5 6 5 6 6 7 8 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 2.8624 -2.265 0.2509 -1.1962 1.3487 -1.0007 1.3188 1.3346 0.4384 1.0754 0.4336 -1.3375 -0.4844 -0.1256 -1.1179 -1.0903 -0.0143 -0.0035 0.0122 -0.0088 0.0145 0 -0.8769 0.9252 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000F52200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.9794 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 12932741 1 17561361824721673120 14390081 3 18272083903117078360 16714656 1 18408605833705286341 20096714 4 18336547114380509121 21040471 1 18338797806023988745 29004967 10 14634869725855357388 5460574 1 9295286144646494912 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 115.48 3.88 1.15 0.6 1.69 0.16 0 -1.28 0.02 -0.51 0 0.02 -0.03 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 190.949 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 79.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 5 3 7 2 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.29 2 -0.21 3 -0.43 4 -0.57 5 0.57 6 0.93 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 4 acceptor 6 0 0 0 0 0 0 0 1 1