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| SMILES: | O(C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)[O-] |
| InChI: | InChI=1/C20H30N2O5/c1-13(2)11-16(18(24)25)21-17(23)15(12-14-9-7-6-8-10-14)22-19(26)27-20(3,4)5/h6-10,13,15-16H,11-12H2,1-5H3,(H,21,23)(H,22,26)(H,24,25)/p-1/t15-,16+/m1/s1 |
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Potential Energy Epot(MMFF94)=51.5495 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 377.461 g/mol | logS: -4.63921 | SlogP: 1.40317 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.146202 | Sterimol/B1: 2.55727 | Sterimol/B2: 5.27691 | Sterimol/B3: 5.86934 | |||
| Sterimol/B4: 7.24342 | Sterimol/L: 15.527 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 661.906 | Positive charged surface: 422.767 | Negative charged surface: 239.138 | Volume: 379.875 | |||
| Hydrophobic surface: 439.591 | Hydrophilic surface: 222.315 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| 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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