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| SMILES: | Fc1cc2c([nH]cc2CC(NC(=O)C)(C(=O)[O-])C(=O)[O-])cc1 |
| InChI: | InChI=1/C14H13FN2O5/c1-7(18)17-14(12(19)20,13(21)22)5-8-6-16-11-3-2-9(15)4-10(8)11/h2-4,6,16H,5H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2 |
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Potential Energy Epot(MMFF94)=83.4182 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 306.249 g/mol | logS: -2.6973 | SlogP: -1.77583 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0803535 | Sterimol/B1: 2.72561 | Sterimol/B2: 3.94941 | Sterimol/B3: 4.60304 | |||
| Sterimol/B4: 5.78369 | Sterimol/L: 14.2034 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 481.379 | Positive charged surface: 226.345 | Negative charged surface: 252.158 | Volume: 256.625 | |||
| Hydrophobic surface: 286.949 | Hydrophilic surface: 194.43 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 1 | Acid groups: 4 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| 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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