7922 1 2 3 4 5 6 7 8 9 10 11 8 8 8 6 6 6 6 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 6 7 6 7 5 6 8 9 7 10 11 1 1 2 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 0.0001 -2.2631 2.2632 -0.7462 0.746 -1.122 1.122 -1.0003 -1.2612 1.0001 1.261 0.9469 0.6108 0.6107 -1.2618 -1.262 0.1777 0.1777 -1.6256 -1.8551 -1.6257 -1.8553 -0.0002 -0.0374 0.0376 0.1104 -0.1104 0.0022 -0.0022 1.1102 -0.6494 -1.1103 0.6492 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EF200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.1616 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 16714656 1 18336833086272387812 20096714 4 18411138021742173842 21040471 1 18410294713514088342 23552423 10 18260270793417500790 29004967 10 18114474370099479913 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 126.45 2.36 1.28 0.58 0 0.39 0 -0.72 0 0 0 0 0.04 0.05 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 258.614 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.2 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 7 1 -0.3 2 -0.57 3 -0.57 4 0.06 5 0.06 6 0.66 7 0.66 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 2 acceptor 1 3 acceptor 5 1 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 3