2733137 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 5 2 6 2 7 2 8 2 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.3915 1.3915 -0.6979 0.6979 -1.2604 -0.6563 1.2579 0.6683 -1.4455 0.8773 -0.5796 -0.5796 0.5796 0.5796 1.4681 0.5356 1.4625 0.554 -0.534 -1.3546 -0.1488 0.1488 0.2967 -0.2966 -0.004 1.389 0.0237 -1.3904 -1.1186 -0.1355 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0029B45100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.1242 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.305 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288343648547523 21015797 1 9222967927677057348 5943 1 9993908638844292361 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 1.66 0.89 0.62 0 0.04 0 -0.37 0 0 0 0 0.05 -0.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 114.781 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 49.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.68 10 0.4 2 -0.68 3 0.28 4 0.28 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 4 1 1