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| SMILES: | FC(F)(F)C1(O)NC(=O)NC(C1C(=O)C)c1ccc(cc1)C(O)=O |
| InChI: | InChI=1/C14H13F3N2O5/c1-6(20)9-10(7-2-4-8(5-3-7)11(21)22)18-12(23)19-13(9,24)14(15,16)17/h2-5,9-10,24H,1H3,(H,21,22)(H2,18,19,23)/t9-,10-,13-/m1/s1 |
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Potential Energy Epot(MMFF94)=54.441 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 346.261 g/mol | logS: -2.52207 | SlogP: 1.7102 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.188508 | Sterimol/B1: 2.29737 | Sterimol/B2: 4.06506 | Sterimol/B3: 4.56629 | |||
| Sterimol/B4: 6.62863 | Sterimol/L: 13.7561 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 483.172 | Positive charged surface: 236.905 | Negative charged surface: 246.267 | Volume: 266.375 | |||
| Hydrophobic surface: 191.124 | Hydrophilic surface: 292.048 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 5 | Acid groups: 0 | 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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Ions/Tautomers related molecules
