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PUBCHEM-ZINC05836791

 MMsINC code: MMs03408431
Type: Neutral
Formula: C6H14O3S
SMILES:   S(OC(C)C)(=O)(=O)CCC
InChI:   InChI=1/C6H14O3S/c1-4-5-10(7,8)9-6(2)3/h6H,4-5H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.6859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.241 g/mol  logS: -1.13967  SlogP: 1.1512  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107433  Sterimol/B1: 2.58275  Sterimol/B2: 3.02999  Sterimol/B3: 4.1077
  Sterimol/B4: 4.31668  Sterimol/L: 11.2612 
 
 Surface and Volume Properties
  Accessible surface: 359.872  Positive charged surface: 222.592  Negative charged surface: 137.28  Volume: 157.125
  Hydrophobic surface: 226.395  Hydrophilic surface: 133.477
 
 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.