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PUBCHEM-ZINC05133987

 MMsINC code: MMs03208930
Type: Neutral
Formula: C6H10F4N2
SMILES:   FN(F)C1CCCCC1N(F)F
InChI:   InChI=1/C6H10F4N2/c7-11(8)5-3-1-2-4-6(5)12(9)10/h5-6H,1-4H2/t5-,6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.8903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.152 g/mol  logS: -1.24766  SlogP: 2.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294811  Sterimol/B1: 2.56865  Sterimol/B2: 3.22965  Sterimol/B3: 3.42308
  Sterimol/B4: 4.78977  Sterimol/L: 8.09164 
 
 Surface and Volume Properties
  Accessible surface: 316.095  Positive charged surface: 143.33  Negative charged surface: 172.766  Volume: 142.25
  Hydrophobic surface: 316.095  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.