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PUBCHEM-ZINC05298666

 MMsINC code: MMs03235339
Type: Neutral
Formula: C11H16F6N2O2
SMILES:   FC(F)(C(F)(F)C(=O)NCCC)C(F)(F)C(=O)NCCC
InChI:   InChI=1/C11H16F6N2O2/c1-3-5-18-7(20)9(12,13)11(16,17)10(14,15)8(21)19-6-4-2/h3-6H2,1-2H3,(H,18,20)(H,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.249 g/mol  logS: -3.10366  SlogP: 3.2044  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0218287  Sterimol/B1: 2.39176  Sterimol/B2: 2.76215  Sterimol/B3: 2.85086
  Sterimol/B4: 3.65627  Sterimol/L: 19.4277 
 
 Surface and Volume Properties
  Accessible surface: 528.726  Positive charged surface: 294.676  Negative charged surface: 234.049  Volume: 250.875
  Hydrophobic surface: 269.72  Hydrophilic surface: 259.006
 
 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.