136721 1 2 3 4 5 6 7 8 9 10 8 7 6 6 6 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 3 5 10 4 6 7 5 8 9 2 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.7913 0.3307 1.5037 0.539 -0.5822 2.1148 2.1145 0.5633 0.5636 0.198 -0.0256 0.9877 0.1292 -1.072 -0.0192 0.2423 0.2423 -1.6933 -1.6937 1.9896 0.0001 0.0001 -0.0001 0.0001 -0.0003 0.8988 -0.8991 0.8986 -0.898 0.0006 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0002161100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.1 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222929479156119362 20096714 4 18339644563089869840 21015797 1 9294129449950636594 21040471 1 18338517559439599232 29004967 10 18334584516110578987 5943 1 8313167651249705342 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.05 1.75 1 0.58 0.4 0.09 0 -0.03 0 -0.19 0 -0.03 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 178.852 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.9 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 6 1 -0.57 10 0.37 2 -0.65 3 0.22 4 0.05 5 0.58 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 2 donor 4 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 2