11815275 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 3 13 4 13 5 2 6 2 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 7 6 8 1 1 1 1 1 1 1 1 1 3 1 4 5 7 3 1 4 2 3 6 8 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.3915 1.3915 -0.6979 0.6979 -1.2604 1.2579 -0.6563 0.6683 -1.4455 0.8773 -0.5796 -0.5796 0.5796 0.5796 1.4681 1.4625 0.5356 0.554 -0.534 -1.3546 -0.1488 0.1488 0.2967 -0.2966 -0.004 0.0237 1.389 -1.3904 -1.1186 -0.1355 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00B4496B00000006 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 15086580236515993896 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 6 2 5 4 1 7 8 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 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 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 2 0 2 0 0 0 4 1 1