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| SMILES: | O=C([O-])C1N(CCC1)C(=O)C(NC(=O)C(NC(=O)C)C(C)C)C |
| InChI: | InChI=1/C15H25N3O5/c1-8(2)12(17-10(4)19)13(20)16-9(3)14(21)18-7-5-6-11(18)15(22)23/h8-9,11-12H,5-7H2,1-4H3,(H,16,20)(H,17,19)(H,22,23)/p-1/t9-,11+,12+/m0/s1 |
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Potential Energy Epot(MMFF94)=60.4109 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 326.373 g/mol | logS: -1.87625 | SlogP: -1.6073 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.124882 | Sterimol/B1: 2.44605 | Sterimol/B2: 3.38985 | Sterimol/B3: 5.26256 | |||
| Sterimol/B4: 6.80441 | Sterimol/L: 15.8711 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 583.756 | Positive charged surface: 362.58 | Negative charged surface: 221.176 | Volume: 312 | |||
| Hydrophobic surface: 362.817 | Hydrophilic surface: 220.939 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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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