8002 1 2 3 4 5 6 7 8 9 10 11 12 13 14 35 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 3 4 6 7 5 8 9 10 11 12 13 14 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 2.7992 -0.0444 -1.3506 1.1575 -2.5616 -0.0022 -0.0235 -1.391 -1.393 1.1859 1.191 -2.5667 -3.4844 -2.5685 -0.4126 -0.2959 0.4972 0.6331 -0.4218 -0.9558 -0.9447 1.1203 1.1716 1.278 1.248 -1.0904 0.1666 -1.0346 0.0093 -0.0044 0.02 -0.017 -0.0079 0.8713 -0.8892 0.9211 -0.8432 0.8656 -0.9205 0.8588 0.0114 -0.9151 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -2.3384 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 9295288339406464160 14390081 3 7997967964192006366 16714656 1 18186802473914834190 20096714 4 18410293656973440392 29004967 10 16056885731876704382 5460574 1 9223231845069912160 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 108.84 4.37 0.86 0.64 0.55 0.02 0 -0.88 0.01 0.06 0 0.07 -0.01 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 169.128 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 79.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 7 6 2 3 4 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 2 1 -0.23 4 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1