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NCID-ZINC01569754

 MMsINC code: MMs02230328
Type: Neutral
Formula: C8H12N4O4
SMILES:   O=C1NC(=O)NC=C1NC(=O)NCCOC
InChI:   InChI=1/C8H12N4O4/c1-16-3-2-9-7(14)11-5-4-10-8(15)12-6(5)13/h4H,2-3H2,1H3,(H2,9,11,14)(H2,10,12,13,15)

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Potential Energy
Epot(MMFF94)=9.62494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.208 g/mol  logS: -0.63503  SlogP: -1.3872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305592  Sterimol/B1: 2.58394  Sterimol/B2: 2.84506  Sterimol/B3: 3.19476
  Sterimol/B4: 4.58765  Sterimol/L: 15.4548 
 
 Surface and Volume Properties
  Accessible surface: 439.515  Positive charged surface: 318.87  Negative charged surface: 120.645  Volume: 195.25
  Hydrophobic surface: 215.994  Hydrophilic surface: 223.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.