6213 1 2 3 4 5 6 7 8 9 10 11 16 8 8 6 6 1 1 1 1 1 1 1 1 1 1 4 4 4 5 5 5 2 3 4 5 6 7 8 9 10 11 2 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 0 -0.0001 0 -1.3899 1.3901 -2.3022 -1.3488 -1.3488 1.3491 2.3023 1.349 -0.1567 -0.8716 -0.8687 0.9487 0.9484 0.3486 1.5678 1.566 1.5677 0.3482 1.5657 0.0002 -1.2611 1.263 -0.001 -0.0011 -0.0003 0.8969 -0.9002 0.8968 -0.0005 -0.9002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000184500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.8984 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.166 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9187342685785400928 20096714 4 18410849945432767520 21015797 1 17835756938307049829 5943 1 17401704953508010336 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 95.01 1.43 1.22 1.09 0 0.07 0 0.74 0 0 0 0 -0.45 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 154.289 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.6 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 5 1 1.09 2 -0.65 3 -0.65 4 0.11 5 0.11 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 2 1 2 acceptor 1 3 acceptor 5 0 0 0 0 0 0 0 1 1