31369 1 2 3 4 5 6 7 8 9 10 17 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 4 5 5 2 3 4 5 6 7 8 9 10 1 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.8207 -0.498 0.8713 -1.5403 1.9876 0.9988 -2.5647 -1.4022 2.9578 1.9811 -1.5766 0.1286 0.6077 0.9721 -0.1318 1.6894 0.6124 2.0491 0.3551 -1.2155 0 0.0001 0 0 0 -0.0002 -0.0001 -0.0001 -0.0001 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00007A8900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.2156 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9293641270967028163 16714656 1 18334864878748840596 20096714 4 18336828593589065440 21015797 1 9653372875424950133 21040471 1 18338517430548479776 24536 1 18340756152381960060 29004967 10 17543068334647138659 5460574 1 9223221949370589472 5943 1 17115840962818732499 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 104.77 2.21 1.42 0.62 0.88 0.53 0 -0.19 0 -0.68 0 -0.01 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 179.39 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.14 10 0.15 2 0.14 3 -0.15 4 -0.3 5 -0.3 6 0.15 7 0.15 8 0.15 9 0.15 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 1 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1