16213434 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 3 13 4 13 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 2 5 10 1 2 3 4 5 6 7 8 9 10 1.8103 -1.8103 0.5571 -0.5571 0.4883 0.4967 -0.4884 -0.4968 2.5007 -2.5007 0.1583 -0.1583 -0.5145 0.5145 -1.1605 -1.1513 1.1606 1.1514 -0.5265 0.5265 -0.0052 -0.0052 0.0052 0.0052 -0.8763 0.894 -0.8764 0.894 -0.0047 -0.0051 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00F765BA00000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.768 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.297 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9151174250958157185 20096714 4 18413108385450294344 21015797 1 9222356637866524707 5460574 1 9223234043850522627 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 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 2012.01.18 114.287 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 49.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 3 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 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 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 2 1 1