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PUBCHEM-ZINC02568346

 MMsINC code: MMs02902332
Type: Neutral
Formula: C4H7NO3
SMILES:   O(C(=O)CC(=O)N)C
InChI:   InChI=1/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)

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Potential Energy
Epot(MMFF94)=10.8042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.104 g/mol  logS: -0.15919  SlogP: -0.9652  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0355478  Sterimol/B1: 2.37495  Sterimol/B2: 2.37538  Sterimol/B3: 2.73241
  Sterimol/B4: 3.34919  Sterimol/L: 10.4148 
 
 Surface and Volume Properties
  Accessible surface: 285.859  Positive charged surface: 214.108  Negative charged surface: 71.7508  Volume: 105.625
  Hydrophobic surface: 136.764  Hydrophilic surface: 149.095
 
 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.