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PUBCHEM-ZINC05190964

 MMsINC code: MMs03222245
Type: Neutral
Formula: C8H16N2O2S4
SMILES:   S(SSSN1CCOCC1)N1CCOCC1
InChI:   InChI=1/C8H16N2O2S4/c1-5-11-6-2-9(1)13-15-16-14-10-3-7-12-8-4-10/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.2561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.492 g/mol  logS: -4.02252  SlogP: 2.1586  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0340326  Sterimol/B1: 2.51903  Sterimol/B2: 3.32179  Sterimol/B3: 3.46697
  Sterimol/B4: 5.19162  Sterimol/L: 15.8404 
 
 Surface and Volume Properties
  Accessible surface: 492.756  Positive charged surface: 403.655  Negative charged surface: 31.1476  Volume: 249.75
  Hydrophobic surface: 461.608  Hydrophilic surface: 31.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.