178 1 2 3 4 5 6 7 8 9 8 7 6 6 1 1 1 1 1 1 2 2 2 3 3 3 3 4 4 8 9 4 5 6 7 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.6073 0.7522 -1.4275 0.068 -1.8768 -1.7917 -1.7274 1.7667 0.2815 -1.1657 1.1306 0.0969 -0.0618 -0.6906 0.014 1.0655 1.1492 2.0298 0.0018 0.0015 0.0013 -0.0046 -0.6101 1.0288 -0.4084 0.0031 0.0081 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000B200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.2976 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9293842481710923235 20096714 4 18268432510784477049 21015797 1 8790889574902944993 5943 1 8603650939448069255 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 71.47 1.35 1.13 0.57 0.57 0.03 0 -0.1 0 -0.4 0 0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 122.421 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 48.5 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 6 1 -0.57 2 -0.8 3 0.06 4 0.57 8 0.37 9 0.37 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 2 1 1 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 2