59069648 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 5 3 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 3 1 4 5 6 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.8103 -1.8102 0.5571 -0.5571 0.4884 0.4968 -0.4884 -0.4968 2.5006 -2.5006 0.1583 -0.1583 -0.5145 0.5145 -1.1605 -1.1513 1.1605 1.1513 -0.5265 0.5265 -0.0052 -0.0052 0.0052 0.0052 -0.8764 0.8939 -0.8764 0.8939 -0.0048 -0.0049 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 038554D000000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.02.08 1.7677 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 20.297 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9151174250958157185 20096714 4 18413108385450294344 21015797 1 9294414227609485347 5460574 1 9223234043850522626 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.02.08 70.58 2.11 0.73 0.56 0 0 0 0 0.01 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 114.288 Shape Volume 7 1.8.1 OEShape openeye.com 2012.02.08 49.6 Conformer RMSD 7 2012.02.08 0.4 Diverse Conformer ID List 6 2012.02.08 2 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 6 1 -0.68 10 0.4 2 -0.68 3 0.28 4 0.28 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.02.08 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 1 0 1 0 0 0 1 1 1