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PUBCHEM-ZINC06048751

 MMsINC code: MMs03513964
Type: Neutral
Formula: C5H13NO3S
SMILES:   S(=O)(=O)(NCCOC)CC
InChI:   InChI=1/C5H13NO3S/c1-3-10(7,8)6-4-5-9-2/h6H,3-5H2,1-2H3

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Potential Energy
Epot(MMFF94)=-5.59259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.229 g/mol  logS: 0.13115  SlogP: -0.4279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952736  Sterimol/B1: 2.524  Sterimol/B2: 2.98818  Sterimol/B3: 3.90137
  Sterimol/B4: 4.31034  Sterimol/L: 11.9388 
 
 Surface and Volume Properties
  Accessible surface: 366.295  Positive charged surface: 268.639  Negative charged surface: 97.6554  Volume: 151.25
  Hydrophobic surface: 254.43  Hydrophilic surface: 111.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.