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PUBCHEM-ZINC04533096

 MMsINC code: MMs03130563
Type: Neutral
Formula: C4H10OS
SMILES:   SCCC(O)C
InChI:   InChI=1/C4H10OS/c1-4(5)2-3-6/h4-6H,2-3H2,1H3/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=6.39589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.189 g/mol  logS: -0.90544  SlogP: 0.6871  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115002  Sterimol/B1: 2.44866  Sterimol/B2: 2.7458  Sterimol/B3: 2.76425
  Sterimol/B4: 3.88755  Sterimol/L: 9.90558 
 
 Surface and Volume Properties
  Accessible surface: 288.959  Positive charged surface: 193.668  Negative charged surface: 95.291  Volume: 110.25
  Hydrophobic surface: 167.758  Hydrophilic surface: 121.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.