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PUBCHEM-ZINC05545607

MMsINC code: MMs03303427

Type: Neutral
Formula: C11H17NO4S
SMILES:   S(=O)(=O)(NC(CO)(CO)C)c1ccc(cc1)C
InChI:   InChI=1/C11H17NO4S/c1-9-3-5-10(6-4-9)17(15,16)12-11(2,7-13)8-14/h3-6,12-14H,7-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.6425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.326 g/mol  logS: -1.61891  SlogP: 0.01662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176556  Sterimol/B1: 3.29682  Sterimol/B2: 3.44353  Sterimol/B3: 3.84335
  Sterimol/B4: 5.76299  Sterimol/L: 12.7384 
 
 Surface and Volume Properties
  Accessible surface: 449.853  Positive charged surface: 287.603  Negative charged surface: 162.25  Volume: 231.375
  Hydrophobic surface: 282.791  Hydrophilic surface: 167.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.