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PUBCHEM-ZINC05888456

 MMsINC code: MMs03430345
Type: Neutral
Formula: C6H14S4
SMILES:   S(CC(S)CS)CC(S)C
InChI:   InChI=1/C6H14S4/c1-5(8)3-10-4-6(9)2-7/h5-9H,2-4H2,1H3/t5-,6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.3708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.442 g/mol  logS: -3.87501  SlogP: 2.2661  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0721123  Sterimol/B1: 2.30195  Sterimol/B2: 3.20733  Sterimol/B3: 3.74282
  Sterimol/B4: 4.52487  Sterimol/L: 14.024 
 
 Surface and Volume Properties
  Accessible surface: 421.435  Positive charged surface: 249.523  Negative charged surface: 171.911  Volume: 195.875
  Hydrophobic surface: 249.523  Hydrophilic surface: 171.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.