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PUBCHEM-ZINC04789088

 MMsINC code: MMs03171526
Type: Neutral
Formula: C10H14N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)N)C1=O
InChI:   InChI=1/C10H14N4O5/c1-2-3-4-13-7(16)8(17)14(10(13)19)5-6(15)12-9(11)18/h2-5H2,1H3,(H3,11,12,15,18)

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Potential Energy
Epot(MMFF94)=-19.5172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.245 g/mol  logS: -1.8671  SlogP: -1.2278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560857  Sterimol/B1: 2.28608  Sterimol/B2: 2.6999  Sterimol/B3: 4.1373
  Sterimol/B4: 5.5407  Sterimol/L: 16.6869 
 
 Surface and Volume Properties
  Accessible surface: 489.814  Positive charged surface: 311.579  Negative charged surface: 178.235  Volume: 228.375
  Hydrophobic surface: 183.931  Hydrophilic surface: 305.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.