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PUBCHEM-ZINC02519520

 MMsINC code: MMs02891902
Type: Neutral
Formula: C12H8S4
SMILES:   SC(=S)c1cc2c(cc(cc2)C(S)=S)cc1
InChI:   InChI=1/C12H8S4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.46 g/mol  logS: -8.46798  SlogP: 4.0504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120148  Sterimol/B1: 2.52373  Sterimol/B2: 3.02688  Sterimol/B3: 3.36006
  Sterimol/B4: 5.87628  Sterimol/L: 15.216 
 
 Surface and Volume Properties
  Accessible surface: 471.049  Positive charged surface: 144.686  Negative charged surface: 315.291  Volume: 241.375
  Hydrophobic surface: 231.853  Hydrophilic surface: 239.196
 
 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.