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| SMILES: | O=C(NC(C(=O)NC(C(=O)[O-])C)C)C(NC(=O)C(NC(=O)C)C)C |
| InChI: | InChI=1/C14H24N4O6/c1-6(15-10(5)19)11(20)16-7(2)12(21)17-8(3)13(22)18-9(4)14(23)24/h6-9H,1-5H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)/p-1/t6-,7-,8-,9-/m0/s1 |
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Potential Energy Epot(MMFF94)=51.3251 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 343.36 g/mol | logS: -1.85331 | SlogP: -3.225 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0248866 | Sterimol/B1: 2.35718 | Sterimol/B2: 2.88765 | Sterimol/B3: 3.35876 | |||
| Sterimol/B4: 6.04796 | Sterimol/L: 20.8911 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 636.805 | Positive charged surface: 384.855 | Negative charged surface: 251.949 | Volume: 318.875 | |||
| Hydrophobic surface: 331.768 | Hydrophilic surface: 305.037 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 4 | ||||||
| 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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