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PUBCHEM-ZINC03954509

 MMsINC code: MMs03085184
Type: Neutral
Formula: C5H8N2O3
SMILES:   O1NC(=O)C(NC(=O)C)C1
InChI:   InChI=1/C5H8N2O3/c1-3(8)6-4-2-10-7-5(4)9/h4H,2H2,1H3,(H,6,8)(H,7,9)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=30.1798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.13 g/mol  logS: -0.34644  SlogP: -1.4475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111366  Sterimol/B1: 2.49698  Sterimol/B2: 3.40972  Sterimol/B3: 3.50087
  Sterimol/B4: 3.96373  Sterimol/L: 10.0239 
 
 Surface and Volume Properties
  Accessible surface: 310.214  Positive charged surface: 199.393  Negative charged surface: 110.821  Volume: 125.625
  Hydrophobic surface: 155.403  Hydrophilic surface: 154.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.