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IFLAB-ZINC03957227

 MMsINC code: MMs02007247
Type: Neutral
Formula: C14H24F3NO
SMILES:   FC(F)(F)C(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C14H24F3NO/c15-14(16,17)13(19)18-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.346 g/mol  logS: -5.40856  SlogP: 4.7581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.51691  Sterimol/B1: 3.39656  Sterimol/B2: 5.04542  Sterimol/B3: 5.0455
  Sterimol/B4: 5.0753  Sterimol/L: 10.7499 
 
 Surface and Volume Properties
  Accessible surface: 458.181  Positive charged surface: 272.019  Negative charged surface: 186.162  Volume: 263.875
  Hydrophobic surface: 332.526  Hydrophilic surface: 125.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.