712 1 2 3 4 8 6 1 1 1 2 2 2 3 4 2 1 1 2 5 10 1 2 3 4 0.6123 -0.6123 -1.2 -1.2 0 0 0.2426 -0.2424 0 0 -0.8998 0.8998 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002C800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0542 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 21015797 1 18338519741256598869 260 1 18410856563976954887 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 35.29 0.93 0.56 0.56 0.04 0 0 0 0 0.04 0 0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 50.426 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 26.8 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 4 1 -0.57 2 0.45 3 0.06 4 0.06 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 1 1 acceptor 2 0 0 0 0 0 0 0 1 1