757 1 2 3 4 5 6 7 8 9 8 8 8 6 6 1 1 1 1 1 1 2 2 3 4 4 4 4 8 5 9 5 5 6 7 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -1.8877 1.595 0.5455 -0.7521 0.4994 -0.7773 -0.7835 -1.8945 2.4274 0.0894 -0.7195 1.3018 -0.7524 0.0808 -1.4045 -1.3486 0.5504 -0.2005 0.0097 0.0078 -0.0031 -0.0119 -0.0026 0.8654 -0.9275 0.866 0.0146 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002F500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.2888 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.434 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295278448170615010 20096714 4 18267589189692406761 21015797 1 8932519883885210038 5460574 1 9223230749689896771 5943 1 13090968049636648368 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 85.29 1.86 1.07 0.55 0.49 0.2 0 -0.2 -0.01 -0.24 0 0.01 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 151.962 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 -0.68 2 -0.65 3 -0.57 4 0.34 5 0.66 8 0.4 9 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 3 2 3 5 anion 5 0 0 0 0 0 0 0 1 1