68160 1 2 3 4 5 6 16 16 7 7 6 6 1 1 2 3 4 2 5 6 5 6 1 1 1 3 3 2 5 10 1 2 3 4 5 6 -0.7257 0.7254 -2.5053 2.5052 -1.7796 1.78 1.0516 1.0516 -0.9285 -0.9288 -0.1232 -0.1227 -0.7254 0.7254 0.2945 -0.2943 -0.1187 0.1186 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00010A4000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -8.6873 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223230762495755329 14390081 3 9079123254106189863 16714656 1 17967812696008810053 20096714 4 10087376533420877557 20711978 78 18129929208471242157 23552449 11 17987803041456888013 29004967 10 18131061632712774504 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 121.21 3.53 1.27 0.86 0 0.15 0 -1.74 0 0 0 0 0.19 0.45 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 198.325 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 81.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 4 3 6 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.04 2 -0.04 3 -0.56 4 -0.56 5 0.59 6 0.59 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 2 1 3 acceptor 1 4 acceptor 6 0 0 0 0 0 0 0 1 1