1023 1 2 3 4 5 6 7 8 9 10 11 12 13 15 15 8 8 8 8 8 8 8 1 1 1 1 1 1 1 1 2 2 2 2 4 5 6 7 3 4 5 8 3 6 7 9 10 11 12 13 1 1 1 2 1 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.4687 -1.4686 -0.0001 2.4586 1.6268 -2.4585 -1.627 1.6894 -1.6893 3.4234 2.4188 -3.4233 -2.4193 0.0811 -0.0811 0.0002 -0.0302 -1.3525 0.0307 1.3525 1.276 -1.2766 0.0818 -1.5187 -0.0811 1.5186 -0.0004 -0.0003 -0.6693 -1.2731 0.7288 -1.273 0.7292 0.8793 0.8787 -1.1356 1.2832 -1.1356 1.2831 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000003FF00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 -55.6655 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.67 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12932741 1 18410575131907719332 21040471 1 17749378256962565591 23552423 10 16988844981645316263 24536 1 18260266356204321185 5084963 1 17895199947282908658 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 151.83 3.49 1.23 1.17 0 0 0.22 0 0.63 0 -0.53 0 0 0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 257.52 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 102.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 13 1 1.51 10 0.5 11 0.5 12 0.5 13 0.5 2 1.51 3 -0.54 4 -0.77 5 -0.77 6 -0.77 7 -0.77 8 -0.7 9 -0.7 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 8 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 4 5 8 anion 4 2 6 7 9 anion 9 0 0 0 0 0 0 0 1 1