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PUBCHEM-ZINC06249956

 MMsINC code: MMs03638262
Type: Neutral
Formula: C8H12F3NO
SMILES:   FC(F)(F)C(=O)N1CCCCC1C
InChI:   InChI=1/C8H12F3NO/c1-6-4-2-3-5-12(6)7(13)8(9,10)11/h6H,2-5H2,1H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.184 g/mol  logS: -1.82147  SlogP: 2.3696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179193  Sterimol/B1: 2.17562  Sterimol/B2: 2.94228  Sterimol/B3: 3.01593
  Sterimol/B4: 6.71801  Sterimol/L: 10.0249 
 
 Surface and Volume Properties
  Accessible surface: 344.33  Positive charged surface: 199.328  Negative charged surface: 145.002  Volume: 162.375
  Hydrophobic surface: 207.008  Hydrophilic surface: 137.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.