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PUBCHEM-ZINC06855338

 MMsINC code: MMs03875212
Type: Neutral
Formula: C5H10O3S
SMILES:   SC1CC(O)C(O)C1O
InChI:   InChI=1/C5H10O3S/c6-2-1-3(9)5(8)4(2)7/h2-9H,1H2/t2-,3+,4+,5+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.198 g/mol  logS: -0.32199  SlogP: -1.2288  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.228643  Sterimol/B1: 2.41204  Sterimol/B2: 2.82512  Sterimol/B3: 3.16524
  Sterimol/B4: 4.6914  Sterimol/L: 9.10466 
 
 Surface and Volume Properties
  Accessible surface: 307.207  Positive charged surface: 207.022  Negative charged surface: 100.185  Volume: 129.75
  Hydrophobic surface: 129.08  Hydrophilic surface: 178.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.