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CHEMBLOCK-ZINC04480067

 MMsINC code: MMs00553034
Type: Neutral
Formula: C6H12S5
SMILES:   S1SSSSCC1CCCC
InChI:   InChI=1/C6H12S5/c1-2-3-4-6-5-7-9-11-10-8-6/h6H,2-5H2,1H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.79985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.492 g/mol  logS: -6.70588  SlogP: 4.8848  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0803461  Sterimol/B1: 3.05146  Sterimol/B2: 3.80352  Sterimol/B3: 4.19087
  Sterimol/B4: 4.24779  Sterimol/L: 13.0244 
 
 Surface and Volume Properties
  Accessible surface: 405.044  Positive charged surface: 173.681  Negative charged surface: 103.903  Volume: 203.75
  Hydrophobic surface: 311.246  Hydrophilic surface: 93.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.