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ACROSORGANICS-ZINC02560528

 MMsINC code: MMs00014339
Type: Neutral
Formula: C3H8O3S
SMILES:   S(=O)(=O)(CCO)C
InChI:   InChI=1/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.28665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.16 g/mol  logS: 0.50083  SlogP: -0.9767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124234  Sterimol/B1: 2.29585  Sterimol/B2: 3.0355  Sterimol/B3: 3.03617
  Sterimol/B4: 3.57508  Sterimol/L: 9.78498 
 
 Surface and Volume Properties
  Accessible surface: 281.918  Positive charged surface: 166.953  Negative charged surface: 114.965  Volume: 104.875
  Hydrophobic surface: 159.147  Hydrophilic surface: 122.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.