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NCID-ZINC01609613

 MMsINC code: MMs02260694
Type: Neutral
Formula: C6H8FN3O2
SMILES:   FCCNC1=CNC(=O)NC1=O
InChI:   InChI=1/C6H8FN3O2/c7-1-2-8-4-3-9-6(12)10-5(4)11/h3,8H,1-2H2,(H2,9,10,11,12)

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Potential Energy
Epot(MMFF94)=20.3947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.147 g/mol  logS: -0.56923  SlogP: -0.7737  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0248605  Sterimol/B1: 2.37444  Sterimol/B2: 2.37646  Sterimol/B3: 2.52048
  Sterimol/B4: 4.99178  Sterimol/L: 11.8045 
 
 Surface and Volume Properties
  Accessible surface: 331.169  Positive charged surface: 208.008  Negative charged surface: 123.16  Volume: 141.375
  Hydrophobic surface: 130.912  Hydrophilic surface: 200.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.