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PUBCHEM-ZINC06524264

 MMsINC code: MMs03782353
Type: Neutral
Formula: C8H10FN3O4
SMILES:   FC1=CN(C(=O)N=C1N)C1OC(CO1)CO
InChI:   InChI=1/C8H10FN3O4/c9-5-1-12(7(14)11-6(5)10)8-15-3-4(2-13)16-8/h1,4,8,13H,2-3H2,(H2,10,11,14)/t4-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=35.7493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.183 g/mol  logS: -0.56513  SlogP: -0.6097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509121  Sterimol/B1: 2.44459  Sterimol/B2: 2.53481  Sterimol/B3: 3.65306
  Sterimol/B4: 4.81054  Sterimol/L: 12.7341 
 
 Surface and Volume Properties
  Accessible surface: 400.661  Positive charged surface: 274.098  Negative charged surface: 126.563  Volume: 183.5
  Hydrophobic surface: 202.632  Hydrophilic surface: 198.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.