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NCID-ZINC04362877

 MMsINC code: MMs02384036
Type: Neutral
Formula: C5H12S4
SMILES:   SCC(CS)(CS)CS
InChI:   InChI=1/C5H12S4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.6148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.415 g/mol  logS: -3.49527  SlogP: 1.692  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.427873  Sterimol/B1: 2.11434  Sterimol/B2: 3.24072  Sterimol/B3: 3.8818
  Sterimol/B4: 5.02254  Sterimol/L: 8.2637 
 
 Surface and Volume Properties
  Accessible surface: 358.888  Positive charged surface: 207.989  Negative charged surface: 150.9  Volume: 177.125
  Hydrophobic surface: 207.989  Hydrophilic surface: 150.899
 
 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.