176 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 1 1 2 3 3 3 3 4 8 4 4 5 6 7 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -0.3035 -0.98 1.3743 -0.0907 1.8368 1.84 1.5207 -1.2598 1.289 -0.8878 -0.3516 -0.0496 0.057 0.0676 -1.4356 1.5081 -0.0002 -0.0002 -0.0002 0.0006 -0.9021 0.8952 0.0064 -0.0008 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000B000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.2463 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.279 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222965763108524674 20096714 4 17761776156988475192 21015797 1 9727630600825169738 5943 1 8496689065323825414 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 1.33 1.11 0.56 0.54 0.16 0 -0.15 0 -0.36 0 0.04 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 121.512 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.7 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 5 1 -0.65 2 -0.57 3 0.06 4 0.66 8 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 2 acceptor 3 1 2 4 anion 4 0 0 0 0 0 0 0 1 1