8030 1 2 3 4 5 6 7 8 9 16 6 6 6 6 1 1 1 1 1 1 2 2 2 3 3 4 5 4 5 3 4 6 5 7 8 9 1 1 1 2 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 1.464 -1.0037 -1.005 0.2733 0.2713 -1.8943 -1.8965 0.5641 0.5605 -0.0011 0.7132 -0.7116 1.2295 -1.23 1.3282 -1.3252 2.2705 -2.2715 0 0 0.0001 0 -0.0001 0 0.0001 0 -0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F5E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.7476 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9294472501820735458 16714656 1 18410587183960459316 20096714 4 17690845557884035856 21015797 1 9222068565841146375 21040471 1 18194402186601229728 5943 1 15542629514796457001 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.75 1.54 1.41 0.63 0.26 0 0 0 0 -0.05 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 202.346 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.1 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 9 1 -0.08 2 -0.15 3 -0.15 4 -0.11 5 -0.11 6 0.15 7 0.15 8 0.15 9 0.15 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 1 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1