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PUBCHEM-ZINC05834657

 MMsINC code: MMs03407331
Type: Neutral
Formula: C8H10FN3O3
SMILES:   FC1=CN(C(=O)NCCC)C(=O)NC1=O
InChI:   InChI=1/C8H10FN3O3/c1-2-3-10-7(14)12-4-5(9)6(13)11-8(12)15/h4H,2-3H2,1H3,(H,10,14)(H,11,13,15)

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Potential Energy
Epot(MMFF94)=8.57344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.184 g/mol  logS: -1.45381  SlogP: 0.5776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192484  Sterimol/B1: 2.38213  Sterimol/B2: 2.45414  Sterimol/B3: 4.17478
  Sterimol/B4: 4.28406  Sterimol/L: 13.7323 
 
 Surface and Volume Properties
  Accessible surface: 393.693  Positive charged surface: 226.104  Negative charged surface: 167.588  Volume: 177.375
  Hydrophobic surface: 207.82  Hydrophilic surface: 185.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.