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PUBCHEM-ZINC00339604

 MMsINC code: MMs02658900
Type: Neutral
Formula: C10H14N4O4
SMILES:   O=C1N(C)C(=O)N(C)C(NC(=O)C)=C1NC(=O)C
InChI:   InChI=1/C10H14N4O4/c1-5(15)11-7-8(12-6(2)16)13(3)10(18)14(4)9(7)17/h1-4H3,(H,11,15)(H,12,16)

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Potential Energy
Epot(MMFF94)=51.5112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.246 g/mol  logS: -0.98124  SlogP: -1.0485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846633  Sterimol/B1: 2.04596  Sterimol/B2: 2.87797  Sterimol/B3: 3.23019
  Sterimol/B4: 9.39239  Sterimol/L: 11.8837 
 
 Surface and Volume Properties
  Accessible surface: 454.056  Positive charged surface: 317.587  Negative charged surface: 136.469  Volume: 222.5
  Hydrophobic surface: 307.535  Hydrophilic surface: 146.521
 
 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.