76939 1 2 3 4 17 17 7 1 1 2 3 3 3 4 1 1 1 2 5 10 1 2 3 4 -1.446 1.446 0 0 0.335 0.335 -0.6701 -1.2924 0 0 0 0.8069 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00012C8B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856563934828325 21015797 1 18048037655416943350 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 60.5 2.17 0.81 0.62 0 0.01 0 -0.43 0 0 0 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 78.184 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 50.2 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 -0.05 2 -0.05 3 -0.26 4 0.36 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 0 3 0 0 0 0 0 0 0 1 1