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| SMILES: | Fc1ccc(cc1)CC(NC(=O)C)C(=O)NC(CC(C)C)C(=O)[O-] |
| InChI: | InChI=1/C17H23FN2O4/c1-10(2)8-15(17(23)24)20-16(22)14(19-11(3)21)9-12-4-6-13(18)7-5-12/h4-7,10,14-15H,8-9H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t14-,15-/m0/s1 |
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Potential Energy Epot(MMFF94)=59.5095 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 337.371 g/mol | logS: -3.8831 | SlogP: 0.15367 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.113281 | Sterimol/B1: 2.27835 | Sterimol/B2: 5.43681 | Sterimol/B3: 5.644 | |||
| Sterimol/B4: 5.94416 | Sterimol/L: 15.7775 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 593.464 | Positive charged surface: 343.298 | Negative charged surface: 250.166 | Volume: 323.625 | |||
| Hydrophobic surface: 420.335 | Hydrophilic surface: 173.129 | |||||
| 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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