Type: Neutral
Formula: C14H24N2O5
| SMILES: |
OC(=O)C(NC(=O)C(C)(C)C)CC(=O)NC(=O)C(C)(C)C |
| InChI: |
InChI=1/C14H24N2O5/c1-13(2,3)11(20)15-8(10(18)19)7-9(17)16-12(21)14(4,5)6/h8H,7H2,1-6H3,(H,15,20)(H,18,19)(H,16,17,21)/t8-/m1/s1 |
MOE's Descriptors
| Physical Properties | | | |
| Molecular Weight: 300.355 g/mol | logS: -1.42609 | SlogP: 0.6809 | Reactive groups: 0 |
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| Topological Properties | | | |
| Globularity: 0.0803208 | Sterimol/B1: 2.456 | Sterimol/B2: 3.05017 | Sterimol/B3: 4.49715 |
| Sterimol/B4: 7.94921 | Sterimol/L: 14.6795 | | | |
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| Surface and Volume Properties | | | |
| Accessible surface: 558.1 | Positive charged surface: 363.803 | Negative charged surface: 194.297 | Volume: 292.125 |
| Hydrophobic surface: 300.927 | Hydrophilic surface: 257.173 | | |
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| Pharmacophoric Properties | | | |
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 |
| Chiral centers: 1 | | | |
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| 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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