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ALFAAESAR-ZINC01845663

 MMsINC code: MMs00022211
Type: Neutral
Formula: C5H11NO4S
SMILES:   S(=O)(=O)(CCC(N)C(O)=O)C
InChI:   InChI=1/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=19.5727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.212 g/mol  logS: 0.40932  SlogP: -1.167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981173  Sterimol/B1: 2.71601  Sterimol/B2: 3.58186  Sterimol/B3: 3.94901
  Sterimol/B4: 4.00671  Sterimol/L: 11.5552 
 
 Surface and Volume Properties
  Accessible surface: 358.846  Positive charged surface: 206.262  Negative charged surface: 152.584  Volume: 149.75
  Hydrophobic surface: 146.807  Hydrophilic surface: 212.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.