277 1 2 3 4 5 6 7 8 8 7 6 1 1 1 1 1 2 3 3 3 4 7 4 4 5 6 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 0.2895 -1.2405 1.0247 -0.0737 1.9662 0.9305 -0.4898 -1.2791 0.401 0.8489 0.0292 0.4713 1.859 -1.875 0.0001 0.0001 0.0001 -0.0002 0.0001 0.0003 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000011500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.5076 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 9292136039648784131 20096714 4 18411420647775719392 21015797 1 8790882995002485033 5943 1 12903257813729494601 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 65.6 1.15 1.11 0.54 0.11 0.39 0 -0.38 0 -0.05 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 114.875 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 43.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.65 2 -0.57 3 -0.8 4 0.78 5 0.37 6 0.37 7 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 2 acceptor 1 3 donor 4 1 2 3 4 anion 4 0 0 0 0 0 0 0 1 2