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| SMILES: | O=C(NC(C(=O)NC(C(=O)[O-])C)C)C(NC(=O)C)C |
| InChI: | InChI=1/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/p-1/t5-,6-,7-/m0/s1 |
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Potential Energy Epot(MMFF94)=39.4378 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 272.281 g/mol | logS: -1.35353 | SlogP: -2.7297 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.03885 | Sterimol/B1: 2.12209 | Sterimol/B2: 2.67486 | Sterimol/B3: 3.31987 | |||
| Sterimol/B4: 6.26656 | Sterimol/L: 17.35 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 525.286 | Positive charged surface: 311.768 | Negative charged surface: 213.518 | Volume: 252.125 | |||
| Hydrophobic surface: 272.666 | Hydrophilic surface: 252.62 | |||||
| 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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