9207 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 2 9 10 4 5 9 6 10 7 11 8 12 8 13 14 15 16 1 2 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.4128 2.4128 0.0005 0.0004 -1.2204 -1.2206 -2.4278 -2.428 1.2352 1.2352 -1.2387 -1.239 -3.3687 -3.369 1.3209 1.3209 0.6795 -0.6796 0.7014 -0.7014 1.3963 -1.3962 0.6968 -0.6967 1.341 -1.3411 2.4837 -2.4836 1.2394 -1.2393 2.4228 -2.4229 -0.0002 0.0002 0.0001 0 0 -0.0002 0 0.0001 0 0 0 -0.0002 0.0001 0.0001 -0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000023F700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 29.0053 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 21.923 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12524768 44 18340491062578948167 12897270 3 18410574010952916565 14325111 11 18410855464449762689 16945 1 18410573985220022919 18185500 45 18339078314691197055 193761 8 15744443723092058469 19973954 147 18410577283728623429 21040471 1 18410856555381842980 23402655 69 18268412561452879949 23552423 10 18261113001653696206 241688 4 18335700524802859857 2748010 2 18410574002357694247 29004967 10 18334018323440985899 369184 2 18410854365069756947 5084963 1 18342175565863619865 528886 8 18411414020698866275 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 195.83 3.38 1.67 0.6 0.14 0 0 0 0 -0.01 0 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 429.398 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 106 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 14 1 -0.31 10 0.16 11 0.15 12 0.15 13 0.15 14 0.15 15 0.15 16 0.15 2 -0.31 5 -0.15 6 -0.15 7 -0.15 8 -0.15 9 0.16 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 4 1 1 acceptor 1 2 acceptor 6 1 2 3 4 9 10 rings 6 3 4 5 6 7 8 rings 10 0 0 0 0 0 0 0 1 1