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| SMILES: | O(C(C(=O)[O-])C)C(=O)C(NC(=O)C(NC(=O)C)CCCCNC(=O)C)C |
| InChI: | InChI=1/C16H27N3O7/c1-9(16(25)26-10(2)15(23)24)18-14(22)13(19-12(4)21)7-5-6-8-17-11(3)20/h9-10,13H,5-8H2,1-4H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)/p-1/t9-,10+,13+/m0/s1 |
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Potential Energy Epot(MMFF94)=41.8522 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 372.398 g/mol | logS: -2.04716 | SlogP: -2.0162 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0780576 | Sterimol/B1: 2.46052 | Sterimol/B2: 5.31774 | Sterimol/B3: 5.5264 | |||
| Sterimol/B4: 7.16824 | Sterimol/L: 17.8776 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 687.256 | Positive charged surface: 429.231 | Negative charged surface: 258.025 | Volume: 351.75 | |||
| Hydrophobic surface: 409.237 | Hydrophilic surface: 278.019 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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: 0 | ||||
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