12309 1 2 3 4 5 6 7 8 9 10 11 12 13 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 2 3 6 7 4 8 9 10 11 12 5 13 1 1 1 1 1 1 1 1 1 1 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 -1.0956 -0.0886 -2.5268 1.2912 2.4198 -0.9502 -0.9319 -0.2428 -0.2497 -2.7152 -3.2301 -2.7348 3.4209 -0.5078 0.6406 0.0051 0.1357 -0.2736 -1.1313 -1.156 1.2741 1.2723 0.6005 -0.8336 0.6285 -0.6368 0.0121 0.0069 -0.0121 -0.0003 -0.0067 0.903 -0.8577 0.8883 -0.8745 -0.9112 -0.0068 0.8634 -0.0123 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000301500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.9513 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 9223234043966664616 16714656 1 18186519895289738573 20096714 4 18261956352921125389 29004967 10 18408889550681097976 5460574 1 9223234043871621633 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 3.64 0.77 0.62 0.23 0.02 0 -0.39 0.02 0.02 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 175.964 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 13 0.18 2 0.2 4 -0.2 5 -0.18 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 3 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1