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ENAMINE-ZINC06496934

 MMsINC code: MMs01663948
Type: Neutral
Formula: C5H6N2O3
SMILES:   O=C1N(CC)C(=O)NC1=O
InChI:   InChI=1/C5H6N2O3/c1-2-7-4(9)3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.2081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.114 g/mol  logS: -0.74901  SlogP: -0.9153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128534  Sterimol/B1: 2.07625  Sterimol/B2: 3.36391  Sterimol/B3: 3.97639
  Sterimol/B4: 4.00615  Sterimol/L: 9.67061 
 
 Surface and Volume Properties
  Accessible surface: 295.209  Positive charged surface: 167.284  Negative charged surface: 127.926  Volume: 116
  Hydrophobic surface: 93.1273  Hydrophilic surface: 202.0817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.