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PUBCHEM-ZINC05410838

 MMsINC code: MMs03260328
Type: Neutral
Formula: C5H12O3S4
SMILES:   S(CC(S)CS)CCS(O)(=O)=O
InChI:   InChI=1/C5H12O3S4/c6-12(7,8)2-1-11-4-5(10)3-9/h5,9-10H,1-4H2,(H,6,7,8)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=15.9419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.412 g/mol  logS: -2.57989  SlogP: 0.2699  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0497324  Sterimol/B1: 3.14807  Sterimol/B2: 3.2936  Sterimol/B3: 3.41516
  Sterimol/B4: 4.39296  Sterimol/L: 15.2003 
 
 Surface and Volume Properties
  Accessible surface: 436.866  Positive charged surface: 227.293  Negative charged surface: 209.572  Volume: 194.625
  Hydrophobic surface: 198.746  Hydrophilic surface: 238.12
 
 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


MMs03260329
PUBCHEM-ZINC05410838