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PUBCHEM-ZINC06019819

 MMsINC code: MMs03495026
Type: Neutral
Formula: C10H14O2S4
SMILES:   S(C)c1c(O)c(SC)c(SC)c(O)c1SC
InChI:   InChI=1/C10H14O2S4/c1-13-7-5(11)9(15-3)10(16-4)6(12)8(7)14-2/h11-12H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.484 g/mol  logS: -4.74658  SlogP: 3.9854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134961  Sterimol/B1: 2.17252  Sterimol/B2: 3.40974  Sterimol/B3: 3.74275
  Sterimol/B4: 7.30572  Sterimol/L: 10.9338 
 
 Surface and Volume Properties
  Accessible surface: 485.182  Positive charged surface: 252.024  Negative charged surface: 233.158  Volume: 257.625
  Hydrophobic surface: 313.374  Hydrophilic surface: 171.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.