7500 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 2 5 9 10 3 4 6 11 7 12 13 14 15 8 16 8 17 18 1 1 1 1 2 1 1 1 2 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 17 18 2.0237 0.5579 -0.1277 -0.1275 2.8549 -1.4987 -1.4985 -2.1841 2.2907 2.2907 0.3951 0.3953 2.6442 3.9222 2.6441 -2.0324 -2.0322 -3.2515 0.0001 0.0001 1.2081 -1.2079 -0.0001 1.2079 -1.208 -0.0001 0.8744 -0.8738 2.156 -2.1558 -0.8858 -0.0001 0.8854 2.1484 -2.1486 -0.0003 0.5593 0.2841 0.1555 0.1556 -0.721 -0.1017 -0.1016 -0.2303 1.1662 1.1666 0.2518 0.2519 -1.3298 -0.4784 -1.3301 -0.2024 -0.2023 -0.4308 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001D4C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 15.4513 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12716758 59 18341332197748650170 12897270 3 18411140246867516748 15310529 11 16805316686901692769 16714656 1 18410576184211629989 16945 1 18410849967060156099 20645464 45 17916849305690653698 21040471 1 18266731381549254529 23235685 24 18410571743431912125 23552423 10 18188207576977407498 2748010 2 18049994790752230295 29004967 10 16343702140538849138 369184 2 18412537713124381058 5084963 1 18343301457227968120 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 164.64 3.35 1.35 0.75 1.82 0 -0.02 0 -0.63 -0.59 0.02 0.25 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 332.872 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 93 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 12 1 0.14 11 0.15 12 0.15 16 0.15 17 0.15 18 0.15 2 -0.14 3 -0.15 4 -0.15 6 -0.15 7 -0.15 8 -0.15 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 5 hydrophobe 6 2 3 4 6 7 8 rings 8 0 0 0 0 0 0 0 1 1