74057 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 14 14 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 -1.1776 1.1776 -1.7319 -1.7319 -1.7318 1.7319 1.7318 1.7319 -1.368 -2.8245 -1.3679 -2.8245 -1.3681 -1.368 -1.3679 -1.3678 -2.8243 2.8245 1.3681 1.368 1.3679 1.3679 2.8244 1.368 2.8246 1.3681 -0.0001 0 1.391 -1.6481 0.2572 1.648 -0.2571 -1.3908 1.2584 1.4413 2.3564 -1.7077 -1.8147 -2.4682 -0.5416 1.21 0.2666 1.7075 2.4681 1.8147 -1.21 0.5416 -0.2664 -2.3563 -1.4411 -1.2582 0 0 -1.0999 -0.6545 1.7545 0.6545 -1.7545 1.0999 -2.1235 -1.1396 -0.7348 -0.6782 -1.6732 -0.0278 2.4082 2.1514 1.818 0.6782 0.0279 1.6732 -2.1514 -2.4082 -1.8179 0.735 1.1396 2.1235 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001214900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.5682 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12423570 1 12648522328477897965 12932764 1 18408045108407566340 13380535 239 18059017322697437357 15310529 11 17677635101759455886 15557651 10 18048070490441979700 15775835 57 18408041809872689508 16945 1 17466471574272999430 20082192 1 18202845456639229060 20511035 2 17823696352402037781 20711978 78 17313403234879570307 207724 885 17486525644361896834 21922407 69 18189042247888623362 23235687 12 18201439219927297003 23552333 60 18198329844167920267 24536 1 17489586761842582924 5084963 1 18053374676627273976 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 201.06 3.12 1.71 1.71 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 325.45 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 140.7 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 8 1 0.24 2 0.24 3 -0.08 4 -0.08 5 -0.08 6 -0.08 7 -0.08 8 -0.08 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 8 0 0 0 0 0 0 0 1 1