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PUBCHEM-ZINC05133261

 MMsINC code: MMs03208174
Type: Neutral
Formula: C8H10N4O4
SMILES:   O=C1NC(=O)N(C1)CCN1CC(=O)NC1=O
InChI:   InChI=1/C8H10N4O4/c13-5-3-11(7(15)9-5)1-2-12-4-6(14)10-8(12)16/h1-4H2,(H,9,13,15)(H,10,14,16)

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Potential Energy
Epot(MMFF94)=-18.4853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.192 g/mol  logS: -0.47844  SlogP: -1.91  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483864  Sterimol/B1: 2.08465  Sterimol/B2: 2.5632  Sterimol/B3: 2.86897
  Sterimol/B4: 5.1515  Sterimol/L: 13.6628 
 
 Surface and Volume Properties
  Accessible surface: 407.183  Positive charged surface: 262.912  Negative charged surface: 144.271  Volume: 185.375
  Hydrophobic surface: 124.046  Hydrophilic surface: 283.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.