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PUBCHEM-ZINC05821651

 MMsINC code: MMs03400693
Type: Neutral
Formula: C5H12S3
SMILES:   S(SSC)CCCC
InChI:   InChI=1/C5H12S3/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.7799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.349 g/mol  logS: -3.83422  SlogP: 3.4459  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0524754  Sterimol/B1: 2.48346  Sterimol/B2: 3.19511  Sterimol/B3: 3.30104
  Sterimol/B4: 4.34587  Sterimol/L: 13.2218 
 
 Surface and Volume Properties
  Accessible surface: 373.119  Positive charged surface: 205.531  Negative charged surface: 135.017  Volume: 162.125
  Hydrophobic surface: 273.135  Hydrophilic surface: 99.984
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.