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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)/p-1/t9-,10-,13+/m0/s1 |
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Potential Energy Epot(MMFF94)=15.3664 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 345.253 g/mol | logS: -2.78252 | SlogP: 0.3755 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.151984 | Sterimol/B1: 2.43453 | Sterimol/B2: 3.2113 | Sterimol/B3: 4.30618 | |||
| Sterimol/B4: 8.03168 | Sterimol/L: 14.3078 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 493.114 | Positive charged surface: 207.186 | Negative charged surface: 285.928 | Volume: 267.875 | |||
| Hydrophobic surface: 180.618 | Hydrophilic surface: 312.496 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 2 | 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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