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NCID-ZINC01592678

 MMsINC code: MMs02247129
Type: Neutral
Formula: C8H10N4O4
SMILES:   O=C1NC(=O)N(C=C1)CC(=O)NCC(=O)N
InChI:   InChI=1/C8H10N4O4/c9-5(13)3-10-7(15)4-12-2-1-6(14)11-8(12)16/h1-2H,3-4H2,(H2,9,13)(H,10,15)(H,11,14,16)

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Potential Energy
Epot(MMFF94)=9.99896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.192 g/mol  logS: -0.75819  SlogP: -2.3466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767173  Sterimol/B1: 2.42534  Sterimol/B2: 2.63549  Sterimol/B3: 3.63933
  Sterimol/B4: 5.17855  Sterimol/L: 14.6624 
 
 Surface and Volume Properties
  Accessible surface: 415.533  Positive charged surface: 255.617  Negative charged surface: 159.916  Volume: 187
  Hydrophobic surface: 131.982  Hydrophilic surface: 283.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.