6387 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 2 15 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 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1.7608 -0.0742 -0.5713 -0.544 -0.5713 -0.2254 -1.6672 -0.2364 -0.1909 -0.1973 -1.6391 -0.239 -1.6672 -0.2218 1.9262 0.0001 0 1.2626 -0.0103 -1.2524 2.1744 1.2948 1.3002 -0.8997 0.8747 -0.0143 -1.2738 -1.2867 -2.1707 1.1501 0.0169 0.0008 0.7106 -1.4566 0.7283 0.2099 0.7208 1.7539 -1.9916 -2.0031 -1.5099 1.7729 0.7361 0.2419 -0.6535 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018F300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 10.2503 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 17771072587830747224 21015797 1 16883059911369731255 24536 1 9403727051431867042 29004967 10 11210028426943306910 5943 1 13288927485870862863 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.75 1.52 1.24 1.24 1.06 0.03 -0.45 0 0.01 -0.36 0.44 -0.35 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 175.518 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.9 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 3 1 -0.41 15 0.18 2 0.23 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