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NCID-ZINC01706262

 MMsINC code: MMs02334624
Type: Neutral
Formula: C6H14S8
SMILES:   S(SC)C(SSC)C(SSC)SSC
InChI:   InChI=1/C6H14S8/c1-7-11-5(12-8-2)6(13-9-3)14-10-4/h5-6H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.3616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.706 g/mol  logS: -7.73472  SlogP: 5.6834  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.244713  Sterimol/B1: 2.40781  Sterimol/B2: 3.29196  Sterimol/B3: 5.28506
  Sterimol/B4: 7.64547  Sterimol/L: 12.3523 
 
 Surface and Volume Properties
  Accessible surface: 478.653  Positive charged surface: 177.006  Negative charged surface: 301.647  Volume: 276
  Hydrophobic surface: 256.763  Hydrophilic surface: 221.89
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.