6124 1 2 3 4 5 6 7 8 9 10 11 8 7 7 6 6 1 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 3 3 4 5 6 7 8 9 10 11 2 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.7381 -0.3584 0.6938 -1.6068 -0.4667 -1.8112 -1.5791 -2.4562 -0.5459 -1.3522 0.3879 0.0342 0.016 0.633 0.7119 -1.3951 0.7177 1.752 0.2401 -1.5145 -1.8534 -1.9864 0.0748 0.2857 -0.209 -0.0409 -0.1106 -1.1191 0.3078 0.4669 -1.1984 0.3461 0.2407 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000017EC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.3926 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8860461173113794991 20096714 4 18407761421549312361 21015797 1 9580760019419669033 21040471 1 18410857624828686689 5943 1 12930095505494902427 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 87.07 1.82 1.21 0.58 0.22 0.53 0.01 -0.51 0 -0.24 0.06 -0.05 0.01 -0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 150.438 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.16 2 -0.36 3 -0.01 4 0.27 5 0.27 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 0 5 0 0 0 0 0 0 0 1 1