9737 1 2 3 4 5 6 7 8 9 9 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 -1.3477 1.3916 0.674 -0.7179 1.2126 0.6388 -1.3074 -0.6878 0.8963 0.5735 0.5592 -0.588 -0.5447 -1.4808 -0.5726 -1.4149 -0.4789 1.3429 -0.1546 0.1453 -0.2901 0.2995 0.0387 -1.3833 0 1.3907 -0.1487 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000260900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.6002 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 10878624635910908883 20096714 4 18411702066928177344 21015797 1 9007061257452509419 5943 1 13868251761595651298 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 69.18 1.61 0.87 0.62 0.05 0.05 -0.01 -0.33 -0.01 0 0.01 0 0.05 0.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 113.472 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 48.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.34 2 -0.68 3 0.28 4 0.34 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 1