34 1 2 3 4 5 6 7 8 9 17 8 6 6 1 1 1 1 1 1 2 2 3 3 3 4 4 4 3 9 4 5 6 7 8 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -1.6622 1.3738 0.8258 -0.5375 1.5099 0.7689 -0.9717 -0.4679 0.7543 0.5667 0.6995 -0.5131 -0.7531 -1.3263 -0.4512 -1.6917 -0.7788 1.414 -0.1219 0.1657 -0.3329 0.2891 -0.0725 -1.4246 -0.0656 1.3804 -0.0609 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000002200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.3991 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 7996240622787356382 20096714 4 18411138000420376617 21015797 1 9510646374777266574 5943 1 15825813811192396727 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 78.32 2 0.99 0.66 0.44 0.02 -0.02 -0.53 -0.07 -0.05 0.05 0.02 0.03 0.12 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 120.444 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.29 2 -0.68 3 0.28 4 0.29 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 2 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 1