6478 1 2 3 4 5 6 7 8 9 10 11 17 17 17 17 17 17 6 6 6 6 6 1 2 3 4 5 6 7 7 8 9 10 7 7 8 9 10 11 8 9 10 11 11 1 1 1 1 1 1 1 1 2 2 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 2.1381 2.1378 0.7037 0.7053 -2.4967 -2.4957 1.135 0.1758 0.1763 -1.09 -1.0896 0.0006 0.0006 2.7817 -2.7812 1.6787 -1.6801 0.0003 1.1632 -1.1632 0.7223 -0.723 1.4661 -1.4666 0.0007 0.0007 0.0003 0 -0.0001 -0.0003 0 -0.0004 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000194E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 20.1758 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 11206711 2 18337401533910490503 12423570 1 15522383064996634710 15219459 52 17830464881705959967 161256 15 18051426346217478493 16945 1 18410573985589255559 193761 8 18410575084995388295 20511035 2 18124590886450687207 21040471 1 18266741268674765573 23552423 10 18189344463215433935 23559900 14 18199761250369493254 241688 4 18341344287939248194 2748010 2 18413103944316888830 4369600 1 18410584976220844108 5084963 1 17916039012549319395 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 237.59 3.09 2.96 1.04 1.16 0 0 0 0 0.37 0 -0.87 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 443.527 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 151.3 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 -0.29 10 0.14 11 0.14 2 -0.29 3 -0.14 4 -0.14 5 -0.14 6 -0.14 7 0.86 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 5 7 8 9 10 11 rings 11 0 0 0 0 0 0 0 1 1