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| SMILES: | Fc1ccc(cc1)CC(NC(=O)c1ccccc1)C(=O)NC(C(=O)[O-])C |
| InChI: | InChI=1/C19H19FN2O4/c1-12(19(25)26)21-18(24)16(11-13-7-9-15(20)10-8-13)22-17(23)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t12-,16+/m1/s1 |
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Potential Energy Epot(MMFF94)=74.4091 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 357.361 g/mol | logS: -4.41143 | SlogP: 0.42137 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.132057 | Sterimol/B1: 2.56573 | Sterimol/B2: 3.88109 | Sterimol/B3: 5.13444 | |||
| Sterimol/B4: 7.61131 | Sterimol/L: 15.7982 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 603.782 | Positive charged surface: 312.172 | Negative charged surface: 291.61 | Volume: 330.625 | |||
| Hydrophobic surface: 443.231 | Hydrophilic surface: 160.551 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | 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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