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NCID-ZINC01713949

 MMsINC code: MMs02340316
Type: Neutral
Formula: C5H4F2N2O2
SMILES:   FC(F)C1=CNC(=O)NC1=O
InChI:   InChI=1/C5H4F2N2O2/c6-3(7)2-1-8-5(11)9-4(2)10/h1,3H,(H2,8,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-21.3362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.095 g/mol  logS: -0.95075  SlogP: 0.3947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501142  Sterimol/B1: 2.4397  Sterimol/B2: 2.6378  Sterimol/B3: 2.63835
  Sterimol/B4: 5.17695  Sterimol/L: 9.16923 
 
 Surface and Volume Properties
  Accessible surface: 286.724  Positive charged surface: 126.645  Negative charged surface: 160.079  Volume: 116
  Hydrophobic surface: 58.8863  Hydrophilic surface: 227.8377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.