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PUBCHEM-ZINC05761048

 MMsINC code: MMs03374278
Type: Neutral
Formula: C4H10S3
SMILES:   S(SSC)C(C)C
InChI:   InChI=1/C4H10S3/c1-4(2)6-7-5-3/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.62578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.322 g/mol  logS: -3.44444  SlogP: 3.0542  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0610337  Sterimol/B1: 2.32717  Sterimol/B2: 3.05217  Sterimol/B3: 3.28065
  Sterimol/B4: 4.90936  Sterimol/L: 10.8549 
 
 Surface and Volume Properties
  Accessible surface: 341.222  Positive charged surface: 171.38  Negative charged surface: 136.974  Volume: 145.5
  Hydrophobic surface: 229.625  Hydrophilic surface: 111.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.