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| SMILES: | FC(F)(C(F)(F)C(=O)NC(CCCC)C(=O)[O-])C(=O)NC(CCCC)C(=O)[O-] |
| InChI: | InChI=1/C16H24F4N2O6/c1-3-5-7-9(11(23)24)21-13(27)15(17,18)16(19,20)14(28)22-10(12(25)26)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)/p-2/t9-,10-/m0/s1 |
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Potential Energy Epot(MMFF94)=76.8129 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 414.352 g/mol | logS: -4.97378 | SlogP: -0.0534 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.0352293 | Sterimol/B1: 1.99757 | Sterimol/B2: 2.85349 | Sterimol/B3: 3.73541 | |||
| Sterimol/B4: 8.61228 | Sterimol/L: 17.2477 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 665.489 | Positive charged surface: 345.149 | Negative charged surface: 320.339 | Volume: 345.5 | |||
| Hydrophobic surface: 309.948 | Hydrophilic surface: 355.541 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 4 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| 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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