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PUBCHEM-ZINC05828220

 MMsINC code: MMs03403774
Type: Neutral
Formula: C2H4NO2-
SMILES:   OC(=O)C[NH-]
InChI:   InChI=1/C2H4NO2/c3-1-2(4)5/h3H,1H2,(H,4,5)/q-1

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Potential Energy
Epot(MMFF94)=28.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 74.059 g/mol  logS: 0.69787  SlogP: -0.6461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695675  Sterimol/B1: 2.10368  Sterimol/B2: 2.37473  Sterimol/B3: 2.37538
  Sterimol/B4: 3.56614  Sterimol/L: 7.88282 
 
 Surface and Volume Properties
  Accessible surface: 214.576  Positive charged surface: 121.763  Negative charged surface: 92.8128  Volume: 65.375
  Hydrophobic surface: 52.6081  Hydrophilic surface: 161.9679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 1  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.