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PUBCHEM-ZINC02035947

 MMsINC code: MMs02861200
Type: Neutral
Formula: C4H10O3S
SMILES:   S(OC)(=O)(=O)CCC
InChI:   InChI=1/C4H10O3S/c1-3-4-8(5,6)7-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.65739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.187 g/mol  logS: -0.48525  SlogP: 0.3726  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112011  Sterimol/B1: 2.43723  Sterimol/B2: 2.9307  Sterimol/B3: 3.09786
  Sterimol/B4: 4.63314  Sterimol/L: 10.2941 
 
 Surface and Volume Properties
  Accessible surface: 305.014  Positive charged surface: 198.211  Negative charged surface: 106.803  Volume: 121.5
  Hydrophobic surface: 202.991  Hydrophilic surface: 102.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.