10419 1 2 3 4 5 6 7 8 9 10 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 5 6 7 4 8 9 10 4 1 1 1 1 1 1 1 1 3 2 5 10 1 2 3 4 5 6 7 8 9 10 -2.0626 2.0626 -0.6004 0.6005 -2.4518 -2.4521 -2.4517 2.4515 2.452 2.4521 -0.0002 -0.0003 0.0002 0.0003 -0.3375 1.0044 -0.6677 -1.0227 0.5317 0.4897 0 0 0 0 0.9654 -0.1906 -0.7747 0.0243 0.8733 -0.8974 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028B300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.1247 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 9295288343648573505 20096714 4 18339080492276649760 21015797 1 9294126159857975336 5460574 1 9295291637888450560 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 2.92 0.62 0.62 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 137.947 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 0.2 2 0.2 3 -0.2 4 -0.2 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 hydrophobe 1 2 hydrophobe 4 0 0 0 0 0 0 0 1 1