62406 1 2 3 4 5 6 7 8 9 16 9 9 9 8 8 8 6 1 1 1 1 1 2 3 4 5 5 6 7 8 8 8 8 9 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.9243 -1.3027 -1.4051 -1.2961 1.2125 1.3537 1.3506 -0.8373 0.9994 -0.001 -1.1544 0.1369 1.0143 0.0248 1.2563 -1.278 0.0009 0.8728 0.1203 -0.5089 1.2468 -0.7491 -1.4835 0.6962 0.6542 0.0241 -1.9395 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000F3C600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6301 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.351 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 17846511347474739264 21040471 1 18115017494483940797 24536 1 17275102825304625777 29004967 10 17458925793517560472 5084963 1 17983566687674749608 5943 1 17106815759272076428 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 129.06 1.94 1.15 1.14 0.15 0.06 -0.17 0 0.08 -0.16 0.1 -0.09 -0.06 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 237.83 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 82.2 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 9 1 1.38 2 -0.34 3 -0.34 4 -0.34 5 -0.68 6 -0.65 7 -0.65 8 1.13 9 0.5 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 4 1 5 acceptor 1 6 acceptor 1 7 acceptor 4 1 5 6 7 anion 8 0 0 0 0 0 0 0 1 1