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PUBCHEM-ZINC05996155

 MMsINC code: MMs03480136
Type: Neutral
Formula: C2H6N2O2
SMILES:   O(N)C(=O)NC
InChI:   InChI=1/C2H6N2O2/c1-4-2(5)6-3/h3H2,1H3,(H,4,5)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.082 g/mol  logS: 0.07415  SlogP: -0.7839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387675  Sterimol/B1: 2.30117  Sterimol/B2: 2.43659  Sterimol/B3: 2.87717
  Sterimol/B4: 3.00806  Sterimol/L: 9.12739 
 
 Surface and Volume Properties
  Accessible surface: 248.43  Positive charged surface: 190.438  Negative charged surface: 57.9924  Volume: 80
  Hydrophobic surface: 101.939  Hydrophilic surface: 146.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.