6407 1 2 3 4 5 6 7 17 17 17 8 6 6 1 1 2 3 4 5 6 5 5 5 6 6 7 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 -0.1313 -1.2455 -1.2458 2.0494 -0.3761 0.9493 0.8939 -0.0061 1.4603 -1.4568 0.0004 0 0.0023 0.006 1.7782 -0.4775 -0.4872 -0.1472 0.0256 -0.692 -1.7963 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000190700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.4792 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 137420 1 15334377795085691805 16714656 1 18410573989820932589 20096714 4 17824263691780634068 21040471 1 18194397797155164045 29004967 10 17903361750818379707 5943 1 17263052336952051161 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 123.22 1.85 1.4 1.36 0.73 0 0.9 0 -0.5 -0.93 -0.32 0.08 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 201.575 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 85.9 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 7 1 -0.29 2 -0.29 3 -0.29 4 -0.57 5 0.93 6 0.45 7 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 4 acceptor 6 0 0 0 0 0 0 0 1 1