123361 1 2 3 4 5 6 7 8 9 10 8 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 2 10 3 4 5 4 6 7 8 9 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.4948 -0.2614 0.8788 0.8773 -0.326 1.5738 0.7077 0.7054 1.5713 -2.0304 -0.0001 0.0012 0.7498 -0.7509 -0.0002 1.254 1.254 -1.2559 -1.2555 0.7775 -0.2381 0.4959 -0.1294 -0.1284 1.5775 0.5306 -1.0724 -1.0708 0.5323 -0.0063 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E1E100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.4038 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8357668799472584126 20096714 4 18190182471480048516 21015797 1 9222356590801232552 5943 1 11522934270768284402 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 1.44 0.9 0.68 0.44 0 0.04 0 -0.17 -0.27 -0.03 0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 137.258 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 50.8 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 10 1 -0.55 10 0.4 2 0.05 3 -0.2 4 -0.2 5 0.1 6 0.1 7 0.1 8 0.1 9 0.1 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 1 1 donor 4 0 0 0 0 0 0 0 1 1