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PUBCHEM-ZINC06863207

 MMsINC code: MMs03881439
Type: Neutral
Formula: C8H6S4
SMILES:   SC(=S)c1ccc(cc1)C(S)=S
InChI:   InChI=1/C8H6S4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.4 g/mol  logS: -6.5901  SlogP: 2.8972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250194  Sterimol/B1: 2.4201  Sterimol/B2: 3.32682  Sterimol/B3: 3.39245
  Sterimol/B4: 4.84078  Sterimol/L: 12.7985 
 
 Surface and Volume Properties
  Accessible surface: 402.86  Positive charged surface: 118.406  Negative charged surface: 284.454  Volume: 193.125
  Hydrophobic surface: 163.115  Hydrophilic surface: 239.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.