1068 1 2 3 4 5 6 7 8 9 16 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 9 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0 -1.3707 1.3707 -1.3327 -2.3171 -1.3326 1.3327 1.3326 2.3171 -0.7864 0.3932 0.3932 1.0212 -0.1541 1.0214 1.0213 1.0214 -0.1541 0 0 0 0.8939 0 -0.8937 0.8939 -0.8937 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000042C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.231 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 139733 1 18410856563934782853 21015797 1 18264205983728866390 5943 1 10762523569386019106 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 65.59 1.82 0.97 0.64 0 0.16 0 -0.5 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 88.944 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53 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 3 1 -0.46 2 0.23 3 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 3 1 2 3 hydrophobe 3 0 0 0 0 0 0 0 1 1