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| SMILES: | OC(=O)CNC(=O)C1N(CCC1)C(=O)C(NC(=O)C(N)C(C)C)C |
| InChI: | InChI=1/C15H26N4O5/c1-8(2)12(16)14(23)18-9(3)15(24)19-6-4-5-10(19)13(22)17-7-11(20)21/h8-10,12H,4-7,16H2,1-3H3,(H,17,22)(H,18,23)(H,20,21)/t9-,10-,12-/m1/s1 |
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Potential Energy Epot(MMFF94)=93.139 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 342.396 g/mol | logS: -1.2998 | SlogP: -1.3338 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0976012 | Sterimol/B1: 2.48129 | Sterimol/B2: 5.77406 | Sterimol/B3: 5.83783 | |||
| Sterimol/B4: 6.06074 | Sterimol/L: 15.9429 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 613.436 | Positive charged surface: 423.479 | Negative charged surface: 189.957 | Volume: 322.875 | |||
| Hydrophobic surface: 325.736 | Hydrophilic surface: 287.7 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 6 | Acid groups: 0 | 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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Ions/Tautomers related molecules: no related molecules available.