944 1 2 3 4 5 8 8 8 7 1 2 -1 4 1 1 1 2 3 4 5 4 4 1 1 1 2 2 5 10 1 2 3 4 5 -0.0416 -1.1005 1.1387 0.0034 0.9095 -1.3017 0.6377 0.5685 0.0956 -1.5016 0.0001 0.0001 0.0001 -0.0004 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000003B000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8922 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.443 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9218795315572864130 21015797 1 9007052487160757611 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 59.73 1.12 1.1 0.5 0.04 0.43 0 -0.37 0 -0.04 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 102.12 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 37.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.39 2 -0.52 3 -0.52 4 1.03 5 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 1 2 acceptor 1 3 acceptor 4 0 0 0 0 0 0 0 1 1