25352 1 2 3 4 5 6 8 8 8 8 7 7 1 -1 2 -1 5 1 6 1 1 2 3 4 5 5 6 5 6 6 1 1 2 2 1 2 5 10 1 2 3 4 5 6 -1.3085 1.3084 -1.3085 1.3085 -0.749 0.749 1.1031 1.1031 -1.1032 -1.1031 0 0 0.0005 -0.0005 -0.0007 0.0007 0.0003 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000630800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.2878 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.475 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288339353742627 16714656 1 17762346812108074334 20096714 4 18338238154595102649 21015797 1 9222967966331568134 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 90.04 1.81 1.29 0.5 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 164.31 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.52 2 -0.52 3 -0.52 4 -0.52 5 1.04 6 1.04 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 2 acceptor 1 3 acceptor 1 4 acceptor 6 0 0 0 0 0 0 0 1 1