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NCID-ZINC04582977

 MMsINC code: MMs02391980
Type: Neutral
Formula: C10H12N6O4
SMILES:   O=C(Nc1nc(nc(NC(=O)C)c1N=O)NC(=O)C)C
InChI:   InChI=1/C10H12N6O4/c1-4(17)11-8-7(16-20)9(12-5(2)18)15-10(14-8)13-6(3)19/h1-3H3,(H3,11,12,13,14,15,17,18,19)

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Potential Energy
Epot(MMFF94)=41.7215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.244 g/mol  logS: -2.59729  SlogP: 0.7497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157485  Sterimol/B1: 2.28694  Sterimol/B2: 2.5281  Sterimol/B3: 2.97137
  Sterimol/B4: 8.81995  Sterimol/L: 14.0694 
 
 Surface and Volume Properties
  Accessible surface: 487.481  Positive charged surface: 301.514  Negative charged surface: 185.967  Volume: 236.125
  Hydrophobic surface: 308.071  Hydrophilic surface: 179.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.