11201 1 2 3 4 5 6 7 8 35 35 6 6 1 1 1 1 1 2 3 3 4 4 4 3 3 4 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -1.614 1.6135 0 0.0005 0 -0.883 0.8843 0.0005 -0.8193 -0.8201 0.1221 1.5173 0.1466 2.0804 2.0798 1.4991 -0.125 -0.125 0.4187 -0.1687 1.5115 0.1518 0.152 -1.2649 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002BC100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.9914 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.978 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8718828686562005403 16714656 1 18194971729413632095 20096714 4 17399230240902812901 21015797 1 9583523087834876824 29004967 10 18336829791826925442 5943 1 16087524520906260232 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 94.2 2.15 1.55 0.73 0 0.58 0 -1.1 0.15 0 0.13 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 133.041 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.5 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 3 1 -0.23 2 -0.23 3 0.46 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 hydrophobe 1 2 hydrophobe 4 1 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1