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PUBCHEM-ZINC05166245

 MMsINC code: MMs03218805
Type: Neutral
Formula: C2H5NO2
SMILES:   O(N)C(=O)C
InChI:   InChI=1/C2H5NO2/c1-2(4)5-3/h3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.9955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 75.067 g/mol  logS: -0.09199  SlogP: -0.5768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631136  Sterimol/B1: 2.12309  Sterimol/B2: 2.36887  Sterimol/B3: 2.46632
  Sterimol/B4: 3.40276  Sterimol/L: 7.74438 
 
 Surface and Volume Properties
  Accessible surface: 225.34  Positive charged surface: 137.391  Negative charged surface: 87.9487  Volume: 68.25
  Hydrophobic surface: 103.258  Hydrophilic surface: 122.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.