7967 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 3 4 8 9 5 10 11 6 12 13 7 14 15 7 16 17 2 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 2.2452 -1.8351 -1.0637 -1.0633 0.3253 0.3253 1.0663 -2.0192 -2.8133 -1.6242 -0.9746 -0.9737 -1.6237 0.2636 0.897 0.8971 0.2632 0 0.0002 -1.258 1.258 -1.2863 1.2861 0 0.0003 0.0003 -2.1474 -1.2977 1.2972 2.1476 -1.405 -2.1286 2.1285 1.4043 0.2971 -0.1136 0.2791 0.2795 -0.3437 -0.3441 -0.0542 -1.1948 0.3804 -0.0298 1.372 1.3724 -0.0288 -1.4309 0.0598 0.0588 -1.4313 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F1F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.0611 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 16714656 1 18410580586764098556 18185500 45 17619067673528073406 20096714 4 17908708332403760907 21040471 1 18266467494426717149 23552423 10 18260556584746731630 29004967 10 18334021591995487723 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 138.19 2.17 1.57 0.67 0.46 0 0.01 0 -0.2 -0.28 0.04 -0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 267.413 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 83.2 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 4 1 -0.57 5 0.06 6 0.06 7 0.45 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 1 acceptor 6 2 3 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 2