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NCID-ZINC04897268

 MMsINC code: MMs02414277
Type: Neutral
Formula: C12H8F2N2
SMILES:   Fc1cc(N=Nc2ccccc2)cc(F)c1
InChI:   InChI=1/C12H8F2N2/c13-9-6-10(14)8-12(7-9)16-15-11-4-2-1-3-5-11/h1-8H/b16-15+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.206 g/mol  logS: -3.86764  SlogP: 4.3802  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.05313e-07  Sterimol/B1: 2.1  Sterimol/B2: 2.1009  Sterimol/B3: 3.57072
  Sterimol/B4: 4.31685  Sterimol/L: 14.0733 
 
 Surface and Volume Properties
  Accessible surface: 422.371  Positive charged surface: 190.805  Negative charged surface: 231.566  Volume: 197.75
  Hydrophobic surface: 422.371  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.