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NCID-ZINC01760254

 MMsINC code: MMs02366846
Type: Neutral
Formula: C5H4N2O4
SMILES:   O=C1C(=O)N(C)C(=O)NC1=O
InChI:   InChI=1/C5H4N2O4/c1-7-4(10)2(8)3(9)6-5(7)11/h1H3,(H,6,9,11)

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Potential Energy
Epot(MMFF94)=-2.3389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.097 g/mol  logS: -0.75315  SlogP: -1.7363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306783  Sterimol/B1: 1.99975  Sterimol/B2: 2.51302  Sterimol/B3: 3.90399
  Sterimol/B4: 4.00912  Sterimol/L: 9.18907 
 
 Surface and Volume Properties
  Accessible surface: 291.979  Positive charged surface: 160.315  Negative charged surface: 131.664  Volume: 117
  Hydrophobic surface: 75.7033  Hydrophilic surface: 216.2757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.