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PUBCHEM-ZINC01845566

 MMsINC code: MMs02823810
Type: Neutral
Formula: C3H4O3
SMILES:   O(C(=O)C=O)C
InChI:   InChI=1/C3H4O3/c1-6-3(5)2-4/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.062 g/mol  logS: -0.03126  SlogP: -0.6417  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0456771  Sterimol/B1: 2.37487  Sterimol/B2: 2.37513  Sterimol/B3: 2.64225
  Sterimol/B4: 3.30144  Sterimol/L: 8.61753 
 
 Surface and Volume Properties
  Accessible surface: 237.337  Positive charged surface: 162.167  Negative charged surface: 75.1697  Volume: 79
  Hydrophobic surface: 114.655  Hydrophilic surface: 122.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.