10977 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 6 6 6 5 3 4 7 8 5 9 10 6 11 12 13 14 15 16 17 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 -2.565 0.4761 -0.6542 1.8519 -2.0442 2.9353 0.4984 0.2702 -0.6861 -0.4102 2.0904 1.8408 -2.0609 -2.7821 2.7419 2.991 3.9112 -1.0917 -0.0675 0.8792 0.3635 0.5263 -0.6099 -0.129 -1.0787 0.9262 1.8925 1.3645 0.4226 0.5421 1.2468 -1.6145 -0.6688 -0.2833 -0.2006 0.2199 -0.2005 -0.2891 0.3204 0.1499 1.3151 -0.1495 -1.2966 0.1428 0.0883 -1.3836 1.4144 -0.0446 -0.2395 1.2416 -0.2229 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002AE100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -2.3182 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10857977 72 17917702526318194760 16714656 1 18410013230163720951 20651381 32 14056991694631928498 29004967 10 16630530622090292720 5460574 1 9655571907502506328 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 125.35 4.57 1.09 0.68 1.09 0.11 0 1.49 -0.04 -0.47 0.04 -0.03 0 -0.21 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 203.752 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 87.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 20 15 4 10 12 18 2 21 17 19 6 8 14 7 13 9 5 3 11 16 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 2 1 -0.29 5 0.29 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 3 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 6 hydrophobe 6 0 0 0 0 0 0 0 1 1