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| SMILES: | O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCC1CCC(CC1)C(=O)[O-] |
| InChI: | InChI=1/C19H34N2O5/c1-12(2)10-15(21-18(25)26-19(3,4)5)16(22)20-11-13-6-8-14(9-7-13)17(23)24/h12-15H,6-11H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)/p-1/t13-,14-,15-/m0/s1 |
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Potential Energy Epot(MMFF94)=21.1611 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 369.482 g/mol | logS: -3.59857 | SlogP: 1.5983 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0872296 | Sterimol/B1: 2.07581 | Sterimol/B2: 4.13534 | Sterimol/B3: 4.2178 | |||
| Sterimol/B4: 9.36753 | Sterimol/L: 18.5818 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 692.657 | Positive charged surface: 485.55 | Negative charged surface: 207.107 | Volume: 377.5 | |||
| Hydrophobic surface: 459.387 | Hydrophilic surface: 233.27 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | 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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