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PUBCHEM-ZINC06292543

 MMsINC code: MMs03659981
Type: Neutral
Formula: C3H8O3S
SMILES:   S(O)CC(O)CO
InChI:   InChI=1/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.16 g/mol  logS: -0.08672  SlogP: -1.0199  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.184617  Sterimol/B1: 2.35762  Sterimol/B2: 2.69856  Sterimol/B3: 3.32541
  Sterimol/B4: 3.5098  Sterimol/L: 9.73094 
 
 Surface and Volume Properties
  Accessible surface: 286.059  Positive charged surface: 184.989  Negative charged surface: 101.07  Volume: 105.25
  Hydrophobic surface: 94.587  Hydrophilic surface: 191.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.