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PUBCHEM-ZINC01849675

 MMsINC code: MMs02825320
Type: Neutral
Formula: C4H10O3S2
SMILES:   S(SCC(O)C)(=O)(=O)C
InChI:   InChI=1/C4H10O3S2/c1-4(5)3-8-9(2,6)7/h4-5H,3H2,1-2H3/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=17.9271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.253 g/mol  logS: -0.93018  SlogP: 0.06  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151573  Sterimol/B1: 2.35159  Sterimol/B2: 2.65635  Sterimol/B3: 4.09742
  Sterimol/B4: 4.57486  Sterimol/L: 9.60694 
 
 Surface and Volume Properties
  Accessible surface: 330.822  Positive charged surface: 174.576  Negative charged surface: 156.247  Volume: 139.25
  Hydrophobic surface: 164.746  Hydrophilic surface: 166.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.