3485 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 7 6 7 4 5 8 9 6 10 11 7 12 13 14 15 2 2 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 -2.5643 2.5894 -0.0101 -1.2765 1.2616 -2.5361 2.536 -0.0134 -0.0087 -1.2999 -1.3083 1.2866 1.2868 -3.4754 3.4641 -1.1122 -1.1006 0.093 0.9464 0.9357 0.1137 0.1241 -0.5383 -0.5968 1.562 1.6128 1.5575 1.6015 0.6932 0.7209 -0.0006 -0.0144 0.0188 -0.0148 -0.007 0.0039 0.0141 0.9168 -0.835 -0.9202 0.8538 -0.9086 0.8628 0.0135 0.0451 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000D9D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5598 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 14325111 11 18410573989472961088 23552423 10 18187366536243699053 29004967 10 17561084691782903288 5460574 1 9295290542835515272 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 132.32 4.57 1.13 0.59 0.06 0.1 0 1.28 0 -0.01 0.01 0 -0.03 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 236.598 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 84.5 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2012.02.08 1 12 5 11 10 8 4 9 7 13 3 2 6 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 8 1 -0.57 14 0.06 15 0.06 2 -0.57 4 0.06 5 0.06 6 0.45 7 0.45 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 2 1 1 acceptor 1 2 acceptor 7 0 0 0 0 0 0 0 1 3