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PUBCHEM-ZINC05410830

 MMsINC code: MMs03260324
Type: Neutral
Formula: C5H12O3S4
SMILES:   S(C(CS)CS)CCS(O)(=O)=O
InChI:   InChI=1/C5H12O3S4/c6-12(7,8)2-1-11-5(3-9)4-10/h5,9-10H,1-4H2,(H,6,7,8)

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Potential Energy
Epot(MMFF94)=17.6503 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: 0.105463  Sterimol/B1: 3.23104  Sterimol/B2: 3.48359  Sterimol/B3: 5.02365
  Sterimol/B4: 5.05374  Sterimol/L: 11.3469 
 
 Surface and Volume Properties
  Accessible surface: 422.358  Positive charged surface: 210.769  Negative charged surface: 211.59  Volume: 193
  Hydrophobic surface: 181.943  Hydrophilic surface: 240.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03260325
PUBCHEM-ZINC05410830