1118 1 2 3 4 5 6 7 16 8 8 8 8 1 1 1 1 1 1 2 3 2 3 4 5 6 7 1 1 2 2 1 1 2 5 10 1 2 3 4 5 6 7 0.0002 1.2744 -1.2765 -0.0336 0.0354 1.2111 -1.2148 -0.0002 0.0355 -0.0326 1.2577 -1.2604 0.6912 -0.6859 -0.1181 0.8975 0.8949 -0.8391 -0.8351 1.6312 1.6307 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000045E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.7489 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.485 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 15770059436241977761 21015797 1 9218235668285620327 5943 1 15606609160098021397 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.27 1.13 1.11 1.09 0 0 0.05 0 0.52 0 -0.47 0 0 0.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 138.661 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 1.67 2 -0.68 3 -0.68 4 -0.65 5 -0.65 6 0.5 7 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 5 1 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1