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| SMILES: | O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NCC1CCC(CC1)C(=O)[O-] |
| InChI: | InChI=1/C18H32N2O5/c1-11(2)14(20-17(24)25-18(3,4)5)15(21)19-10-12-6-8-13(9-7-12)16(22)23/h11-14H,6-10H2,1-5H3,(H,19,21)(H,20,24)(H,22,23)/p-1/t12-,13-,14-/m1/s1 |
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Potential Energy Epot(MMFF94)=19.7645 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 355.455 g/mol | logS: -2.7699 | SlogP: 1.2082 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0523195 | Sterimol/B1: 2.15929 | Sterimol/B2: 2.96233 | Sterimol/B3: 5.19252 | |||
| Sterimol/B4: 6.5743 | Sterimol/L: 19.3435 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 654.677 | Positive charged surface: 452.474 | Negative charged surface: 202.203 | Volume: 357.25 | |||
| Hydrophobic surface: 421.79 | Hydrophilic surface: 232.887 | |||||
| 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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