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PUBCHEM-ZINC06855351

 MMsINC code: MMs03875221
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.256 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: 0.234478  Sterimol/B1: 2.5723  Sterimol/B2: 2.59703  Sterimol/B3: 3.29957
  Sterimol/B4: 4.72648  Sterimol/L: 9.21661 
 
 Surface and Volume Properties
  Accessible surface: 309.247  Positive charged surface: 208.485  Negative charged surface: 100.762  Volume: 129.75
  Hydrophobic surface: 132.605  Hydrophilic surface: 176.642
 
 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.