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BACHEM-ZINC04899428

 MMsINC code: MMs00484875
Type: Neutral
Formula: C10H19NO5S
SMILES:   S(=O)(CCC(NC(OC(C)(C)C)=O)C(O)=O)C
InChI:   InChI=1/C10H19NO5S/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-17(4)15/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=29.1016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.33 g/mol  logS: -1.27982  SlogP: 0.7329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754741  Sterimol/B1: 3.19618  Sterimol/B2: 3.61407  Sterimol/B3: 5.32082
  Sterimol/B4: 5.34759  Sterimol/L: 13.7776 
 
 Surface and Volume Properties
  Accessible surface: 503.81  Positive charged surface: 330.346  Negative charged surface: 173.464  Volume: 242.625
  Hydrophobic surface: 294.967  Hydrophilic surface: 208.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00484876
BACHEM-ZINC04899428