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PUBCHEM-ZINC00392373

 MMsINC code: MMs02672151
Type: Neutral
Formula: C5H10OS2
SMILES:   S(CC)C(SCC)=O
InChI:   InChI=1/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.0871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.266 g/mol  logS: -2.67199  SlogP: 2.6126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319051  Sterimol/B1: 2.37511  Sterimol/B2: 2.37591  Sterimol/B3: 2.99332
  Sterimol/B4: 3.03491  Sterimol/L: 12.6154 
 
 Surface and Volume Properties
  Accessible surface: 348.693  Positive charged surface: 209.814  Negative charged surface: 138.879  Volume: 144.125
  Hydrophobic surface: 198.834  Hydrophilic surface: 149.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.