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PUBCHEM-ZINC06360496

 MMsINC code: MMs03686194
Type: Neutral
Formula: C4H10O3S2
SMILES:   S(O)CC(O)C(O)CS
InChI:   InChI=1/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.3183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.253 g/mol  logS: -1.07518  SlogP: -0.7215  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.159994  Sterimol/B1: 2.26905  Sterimol/B2: 3.35711  Sterimol/B3: 3.49579
  Sterimol/B4: 3.59736  Sterimol/L: 11.2978 
 
 Surface and Volume Properties
  Accessible surface: 341.904  Positive charged surface: 197.103  Negative charged surface: 144.801  Volume: 141.125
  Hydrophobic surface: 117.751  Hydrophilic surface: 224.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.