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MAYBRIDGE-ZINC00137453

 MMsINC code: MMs02138653
Type: Neutral
Formula: C7H6F2N2O
SMILES:   Fc1cc(NC(=O)N)ccc1F
InChI:   InChI=1/C7H6F2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.45635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.134 g/mol  logS: -2.12414  SlogP: 1.4554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186909  Sterimol/B1: 2.097  Sterimol/B2: 2.82087  Sterimol/B3: 2.8229
  Sterimol/B4: 4.84135  Sterimol/L: 11.0691 
 
 Surface and Volume Properties
  Accessible surface: 330.017  Positive charged surface: 174.317  Negative charged surface: 155.7  Volume: 137
  Hydrophobic surface: 203.547  Hydrophilic surface: 126.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.