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PUBCHEM-ZINC05410918

 MMsINC code: MMs03260339
Type: Neutral
Formula: C6H14O3S4
SMILES:   S(CC(S)CS)CCCS(O)(=O)=O
InChI:   InChI=1/C6H14O3S4/c7-13(8,9)3-1-2-12-5-6(11)4-10/h6,10-11H,1-5H2,(H,7,8,9)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=20.0337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.439 g/mol  logS: -2.78166  SlogP: 0.66  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.041099  Sterimol/B1: 3.09428  Sterimol/B2: 3.2381  Sterimol/B3: 3.26732
  Sterimol/B4: 3.94221  Sterimol/L: 16.4647 
 
 Surface and Volume Properties
  Accessible surface: 467.377  Positive charged surface: 254.769  Negative charged surface: 212.609  Volume: 212.25
  Hydrophobic surface: 229.517  Hydrophilic surface: 237.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03260340
PUBCHEM-ZINC05410918