6374 1 2 3 4 5 53 53 53 6 1 1 2 3 4 4 4 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.8598 -0.3777 -1.4822 0.0001 0.0001 0.6377 -1.9294 1.2917 0 0.0001 0.1926 0.1925 0.1925 -0.5776 -1.6715 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018E600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0799 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.912 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10084602474163383782 16714656 1 18266466588151551488 20096714 4 18128814153420144844 21040471 1 18410858737388883124 23552449 1 18052815033598138992 23552449 11 16607994262863216186 5943 1 12606287423938277506 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 118.12 2.39 2.39 0.88 1.5 0.47 -0.03 -0.47 -0.24 -1.5 -0.24 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 149.975 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 99.4 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 4 1 -0.19 2 -0.19 3 -0.19 4 0.57 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 4 1 1 hydrophobe 1 2 hydrophobe 1 3 hydrophobe 4 1 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1