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PUBCHEM-ZINC00046551

 MMsINC code: MMs02629763
Type: Neutral
Formula: C8H10FN3O3
SMILES:   FC1=CN(C(=O)NC(C)C)C(=O)NC1=O
InChI:   InChI=1/C8H10FN3O3/c1-4(2)10-7(14)12-3-5(9)6(13)11-8(12)15/h3-4H,1-2H3,(H,10,14)(H,11,13,15)

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Potential Energy
Epot(MMFF94)=12.4758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.184 g/mol  logS: -1.57925  SlogP: 0.576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669362  Sterimol/B1: 2.25464  Sterimol/B2: 3.36515  Sterimol/B3: 4.16997
  Sterimol/B4: 4.90134  Sterimol/L: 12.5361 
 
 Surface and Volume Properties
  Accessible surface: 391.031  Positive charged surface: 214.461  Negative charged surface: 176.57  Volume: 176.875
  Hydrophobic surface: 193.705  Hydrophilic surface: 197.326
 
 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.