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| SMILES: | O(C(=O)c1cc(NC(=O)C)ccc1)C(C(=O)NC(=O)NC1CCCCC1)C |
| InChI: | InChI=1/C19H25N3O5/c1-12(17(24)22-19(26)21-15-8-4-3-5-9-15)27-18(25)14-7-6-10-16(11-14)20-13(2)23/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,20,23)(H2,21,22,24,26)/t12-/m1/s1 |
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Potential Energy Epot(MMFF94)=51.6747 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 375.425 g/mol | logS: -4.17551 | SlogP: 2.3488 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0374794 | Sterimol/B1: 2.1613 | Sterimol/B2: 2.4604 | Sterimol/B3: 5.53945 | |||
| Sterimol/B4: 6.87238 | Sterimol/L: 21.9055 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 677.208 | Positive charged surface: 448.172 | Negative charged surface: 229.035 | Volume: 355.875 | |||
| Hydrophobic surface: 487.289 | Hydrophilic surface: 189.919 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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.