6579 1 2 3 4 5 6 7 8 9 10 8 7 6 6 6 1 1 1 1 1 1 2 2 2 3 4 4 5 5 3 3 7 8 4 5 6 9 10 2 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.6119 -1.5884 -0.5159 0.7845 1.9318 0.7929 -1.4856 -2.5388 2.8793 1.9647 -1.2994 0.7844 -0.0771 0.6387 -0.0466 1.7231 1.7945 0.4287 0.4821 -1.1304 0.0001 0.0001 -0.0003 0 0.0001 0 0.0002 0.0004 0.0002 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019B300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.7225 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9221861857723858658 16714656 1 18261962851354395964 20096714 4 18408323272054383440 21015797 1 9653093603703087349 21040471 1 18338517443443944160 5460574 1 9295287244300592960 5943 1 8921411208777645639 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.05 2.08 1.04 0.58 0.55 0.22 0 -0.24 0 -0.28 0 0.04 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 166.203 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.57 10 0.15 2 -0.8 3 0.62 4 -0.14 5 -0.3 6 0.15 7 0.37 8 0.37 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 3 1 1 acceptor 1 2 donor 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 2