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| SMILES: | O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(=O)N |
| InChI: | InChI=1/C19H29N3O4/c1-12(2)15(22-18(25)26-19(3,4)5)17(24)21-14(16(20)23)11-13-9-7-6-8-10-13/h6-10,12,14-15H,11H2,1-5H3,(H2,20,23)(H,21,24)(H,22,25)/t14-,15+/m1/s1 |
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Potential Energy Epot(MMFF94)=78.6712 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 363.458 g/mol | logS: -3.83281 | SlogP: 1.74847 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0792179 | Sterimol/B1: 2.0494 | Sterimol/B2: 3.56081 | Sterimol/B3: 5.52079 | |||
| Sterimol/B4: 8.03271 | Sterimol/L: 16.6841 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 626.283 | Positive charged surface: 409.32 | Negative charged surface: 216.963 | Volume: 360 | |||
| Hydrophobic surface: 399.075 | Hydrophilic surface: 227.208 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | 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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Ions/Tautomers related molecules: no related molecules available.