1100 1 2 3 4 5 6 16 8 8 8 1 1 1 1 1 2 3 2 3 4 5 6 1 1 2 1 1 2 5 10 1 2 3 4 5 6 -0.0897 0.7641 0.7618 -1.4361 0.1747 0.1709 -0.0002 -1.2121 1.2135 -0.0012 -1.9724 1.9727 0.4756 -0.1456 -0.1456 -0.1844 -0.3619 -0.3616 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000044C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7584 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.288 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8645610021219705707 20096714 4 18045778159096060937 21015797 1 8574434201105148937 5943 1 15078172739244194385 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 68.56 1.26 1.19 0.66 0.43 0 -0.1 0 0.14 -0.49 0.1 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 106.634 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 49.8 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 6 1 0.6 2 -0.55 3 -0.55 4 -0.5 5 0.5 6 0.5 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 3 1 2 acceptor 1 3 acceptor 1 4 acceptor 4 0 0 0 0 0 0 0 1 1