Type: Ionized
Formula: C8H13NO7S-2
| SMILES: |
S(=O)(=O)([O-])CC(NC(OC(C)(C)C)=O)C(=O)[O-] |
| InChI: |
InChI=1/C8H15NO7S/c1-8(2,3)16-7(12)9-5(6(10)11)4-17(13,14)15/h5H,4H2,1-3H3,(H,9,12)(H,10,11)(H,13,14,15)/p-2/t5-/m1/s1 |
MOE's Descriptors
| Physical Properties | | | |
| Molecular Weight: 267.258 g/mol | logS: -1.16992 | SlogP: -1.8252 | Reactive groups: 0 |
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| Topological Properties | | | |
| Globularity: 0.119473 | Sterimol/B1: 2.01913 | Sterimol/B2: 3.98727 | Sterimol/B3: 4.74139 |
| Sterimol/B4: 4.85341 | Sterimol/L: 12.4246 | | | |
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| Surface and Volume Properties | | | |
| Accessible surface: 451.79 | Positive charged surface: 212.979 | Negative charged surface: 238.811 | Volume: 211.5 |
| Hydrophobic surface: 190.31 | Hydrophilic surface: 261.48 | | |
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| Pharmacophoric Properties | | | |
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 5 | 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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