6360 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 0 -0.5345 1.4342 -0.8997 0 -0.5557 0.0922 -1.5526 1.491 2.0882 1.8308 -0.9354 -0.5355 -1.923 0 1.3473 -0.2109 -1.1365 0 1.4007 2.1671 1.5147 -0.2192 0.5872 -1.1634 -1.1816 -2.102 -1.0036 -0.3603 0.1201 0.1201 0.1201 -1.4571 1.2139 -0.2469 -0.2469 1.214 -0.2468 -0.2469 1.2139 -0.2469 -0.2469 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018D800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.4775 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 9655039756538135470 20096714 4 17622157971364819080 21015797 1 9655568625867858918 5943 1 13485114874618043416 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.4 1.4 0.66 0.57 0.04 -0.01 -0.04 0.09 -0.57 0.09 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 133.497 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.4 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 0 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 1 4 1 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1