10486 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 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 1.7293 -0.0682 -0.5545 -0.5534 -0.5532 -0.2014 -0.2014 -1.6495 -0.2003 -0.1994 -1.6483 -0.1999 -0.1992 -1.6481 0.0002 0 0.0974 1.2048 -1.3024 -0.7497 1.0172 0.1005 2.147 1.1607 1.2435 -2.1778 -1.3976 -1.3446 0.0008 -0.0001 1.4469 -0.8082 -0.6394 2.046 1.9271 1.4929 -0.3738 -1.8446 -0.8348 -0.0825 -1.6723 -0.6605 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028F600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.1762 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 11783839987668430830 20096714 4 17463392937673713948 21015797 1 12720391077114514505 5943 1 13513021334440013447 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 104.77 1.45 1.24 1.24 0.97 0.06 -0.44 0 0 -0.35 0.45 -0.35 -0.06 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 173.119 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75 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 2 1 -0.29 2 0.29 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 4 2 3 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1