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ACROSORGANICS-ZINC01577573

 MMsINC code: MMs00009461
Type: Neutral
Formula: C3H5FO
SMILES:   FCC(=O)C
InChI:   InChI=1/C3H5FO/c1-3(5)2-4/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.58009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 76.07 g/mol  logS: -0.25294  SlogP: 0.5449  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.150795  Sterimol/B1: 2.22552  Sterimol/B2: 2.37477  Sterimol/B3: 2.37563
  Sterimol/B4: 3.64949  Sterimol/L: 7.48712 
 
 Surface and Volume Properties
  Accessible surface: 221.717  Positive charged surface: 127.671  Negative charged surface: 94.0464  Volume: 70.375
  Hydrophobic surface: 122.873  Hydrophilic surface: 98.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.