2707 1 2 3 4 5 6 7 8 9 10 17 17 17 8 8 6 6 1 1 1 1 2 3 4 4 5 5 6 6 7 7 7 6 9 6 10 7 8 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.416 -0.6398 -1.4294 1.5921 1.5653 0.8923 -0.5645 0.9196 1.255 2.2752 -1.4673 0.0461 1.4355 1.1591 -1.1753 -0.0006 0.0025 0.0001 1.3897 -1.3587 0.572 -1.7913 0.6414 0.046 0.0442 0.4897 -0.0022 1.5859 -0.8361 0.6827 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000A9300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7077 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.384 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137420 1 15430325766623903669 20096714 4 18269558234460517224 21040471 1 18267310824119154809 24536 1 18338497699558282504 29004967 10 18050287264961026603 5084963 1 17914047599628799417 5943 1 17315950850834636893 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 137.93 2 1.58 1.29 0.48 0.04 0.86 -0.01 -0.4 -0.41 -0.43 -0.38 -0.04 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 227.698 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 95.7 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 9 1 -0.29 10 0.4 2 -0.29 3 -0.29 4 -0.68 5 -0.68 6 0.56 7 0.87 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 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 7 0 0 0 0 0 0 0 1 1