59918859 1 2 3 4 5 6 7 8 9 10 8 8 7 6 6 1 1 1 1 1 4 13 5 12 1 1 2 3 3 3 4 4 4 5 10 5 4 8 9 5 6 7 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.6487 0.4837 -1.9006 -0.7341 0.5023 -0.729 -0.7424 -2.7453 -1.9201 2.4447 -0.6571 1.2934 0.0812 -0.7867 0.0692 -1.4267 -1.4002 -0.4892 0.614 -0.084 -0.0104 -0.0005 -0.009 0.0079 0.012 -0.879 0.9131 -0.0102 -0.8781 -0.0261 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03924A0B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.05.21 1.7559 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 25.429 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223223048860968834 20096714 4 18267025135958744657 21015797 1 8932240607915930678 5460574 1 9223230749668804259 5943 1 14251026939480673972 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.05.21 86.18 1.9 1.06 0.56 0.45 0.2 0 -0.21 0.01 -0.19 0 0.01 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 152.844 Shape Volume 7 1.8.1 OEShape openeye.com 2012.05.21 56.2 Conformer RMSD 7 2012.05.21 0.4 Diverse Conformer ID List 6 2012.05.21 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.65 10 0.5 2 -0.57 3 -0.99 4 0.33 5 0.66 8 0.36 9 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.05.21 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 5 anion 5 0 0 0 0 0 0 2 1 1