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PUBCHEM-ZINC05138340

 MMsINC code: MMs03210330
Type: Neutral
Formula: C6H13NO2S
SMILES:   SCC(N)C(OC(C)C)=O
InChI:   InChI=1/C6H13NO2S/c1-4(2)9-6(8)5(7)3-10/h4-5,10H,3,7H2,1-2H3/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=35.2042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.241 g/mol  logS: -1.33295  SlogP: 0.1951  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0792711  Sterimol/B1: 2.58762  Sterimol/B2: 2.5972  Sterimol/B3: 3.28678
  Sterimol/B4: 4.76685  Sterimol/L: 11.4911 
 
 Surface and Volume Properties
  Accessible surface: 370.636  Positive charged surface: 242.059  Negative charged surface: 128.578  Volume: 157.5
  Hydrophobic surface: 198.913  Hydrophilic surface: 171.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.