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NCID-ZINC01686562

 MMsINC code: MMs02319457
Type: Neutral
Formula: C7H9FN4O3
SMILES:   FCCNC(=O)NC1=CNC(=O)NC1=O
InChI:   InChI=1/C7H9FN4O3/c8-1-2-9-6(14)11-4-3-10-7(15)12-5(4)13/h3H,1-2H2,(H2,9,11,14)(H2,10,12,13,15)

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Potential Energy
Epot(MMFF94)=7.43045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.172 g/mol  logS: -0.81608  SlogP: -1.0641  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0409039  Sterimol/B1: 2.49168  Sterimol/B2: 2.75334  Sterimol/B3: 2.92244
  Sterimol/B4: 4.94976  Sterimol/L: 14.0786 
 
 Surface and Volume Properties
  Accessible surface: 394.415  Positive charged surface: 248.06  Negative charged surface: 146.355  Volume: 171.625
  Hydrophobic surface: 141.572  Hydrophilic surface: 252.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.