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| SMILES: | FC1(F)C([O-])C(OC1N1C=C(C)C(=O)NC1=O)CO |
| InChI: | InChI=1/C10H11F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15H,3H2,1H3,(H,13,17,18)/q-1/t5-,6-,8+/m0/s1 |
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Potential Energy Epot(MMFF94)=33.0691 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 277.203 g/mol | logS: -0.866 | SlogP: 0.0135 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.122674 | Sterimol/B1: 2.22948 | Sterimol/B2: 3.67841 | Sterimol/B3: 3.73914 | |||
| Sterimol/B4: 6.67554 | Sterimol/L: 12.4548 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 437.929 | Positive charged surface: 224.579 | Negative charged surface: 213.35 | Volume: 213.125 | |||
| Hydrophobic surface: 187.53 | Hydrophilic surface: 250.399 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 1 | Basic groups: 0 | |||
| Chiral centers: 3 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
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