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PUBCHEM-ZINC06481663

 MMsINC code: MMs03758038
Type: Neutral
Formula: C5H8N2O2
SMILES:   O=C1N(CC1)C(=O)NC
InChI:   InChI=1/C5H8N2O2/c1-6-5(9)7-3-2-4(7)8/h2-3H2,1H3,(H,6,9)

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Potential Energy
Epot(MMFF94)=-13.9487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.131 g/mol  logS: 0.08359  SlogP: -0.4419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525868  Sterimol/B1: 2.39321  Sterimol/B2: 2.39885  Sterimol/B3: 3.47823
  Sterimol/B4: 3.86864  Sterimol/L: 9.87734 
 
 Surface and Volume Properties
  Accessible surface: 304.06  Positive charged surface: 161.142  Negative charged surface: 59.7571  Volume: 120
  Hydrophobic surface: 188.226  Hydrophilic surface: 115.834
 
 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.