10041 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 6 6 6 1 1 1 1 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 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 1 1 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 16 17 0 -1.3467 0.8961 -0.2359 0.6864 -1.2106 -1.8616 -2.0095 1.8669 1.0828 0.4318 -0.8737 -0.7257 0.7093 0.8684 1.6524 0.0693 0 0.3727 1.2449 -0.5385 -1.0791 0.7613 1.1428 -0.4977 1.01 1.6532 2.0348 -1.4294 0.2109 -0.8138 -0.7234 -1.3666 -1.9822 0 0.6364 -0.0677 -1.4183 0.8496 1.652 0.051 0.6985 -0.5184 0.9319 -0.6688 -1.4026 -2.0501 -1.8996 1.8699 0.4196 0.9165 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000273900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.5018 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 21015797 1 13819237569022426240 5943 1 14102923088085647366 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 1.25 1.25 1.24 0.2 0.05 0.51 -0.19 -0.3 -0.46 -0.21 0.27 0.14 0.15 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 177.049 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 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 5 1 2 3 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1