10301 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 7 7 8 8 9 9 10 3 5 4 6 4 11 12 13 14 6 7 8 9 15 10 16 10 17 18 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 1.1879 1.1877 2.3253 2.3251 0.0362 0.0361 -1.171 -1.1712 -2.3779 -2.378 3.2218 2.304 3.2216 2.3036 -1.1803 -1.1805 -3.3191 -3.3193 -1.4406 1.4406 -0.6717 0.6719 -0.698 0.6979 -1.3951 1.3951 -0.6963 0.6962 -1.24 -0.5573 1.2403 0.5574 -2.4801 2.4801 -1.2375 1.2372 -0.0495 0.0495 0.3514 -0.3516 -0.0295 0.0298 -0.0815 0.0816 -0.0436 0.0434 0.0849 1.4422 -0.0852 -1.4424 -0.1404 0.1404 -0.0774 0.077 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000283D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 30.8023 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.339 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12897270 3 18410293656962709157 14325111 11 18410293618287118709 16945 1 18411700984643768071 18185500 45 18410572924315712519 21040471 1 18339923723094973744 23402655 69 18268131086513092557 23552423 10 18261113018859887190 241688 4 16899342235457792955 2748010 2 17762618795053839605 29004967 10 18260834816600757467 369184 2 16877940533754482745 5084963 1 18272649021859906307 528886 8 18411133649518194691 66348 1 18266740383768947873 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 194.06 3.44 1.63 0.63 0.27 0 0 0 0 -0.08 0 0.04 0 -0.15 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 418.127 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 106.3 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 14 1 -0.36 10 -0.15 15 0.15 16 0.15 17 0.15 18 0.15 2 -0.36 3 0.28 4 0.28 5 0.08 6 0.08 7 -0.15 8 -0.15 9 -0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 2 acceptor 6 1 2 3 4 5 6 rings 6 5 6 7 8 9 10 rings 10 0 0 0 0 0 0 0 1 1