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PUBCHEM-ZINC03161293

 MMsINC code: MMs03003457
Type: Neutral
Formula: C8H11F4NO
SMILES:   FC(F)(C(=O)N1CCCCC1)C(F)F
InChI:   InChI=1/C8H11F4NO/c9-6(10)8(11,12)7(14)13-4-2-1-3-5-13/h6H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.5223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.174 g/mol  logS: -1.64272  SlogP: 2.7391  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112546  Sterimol/B1: 2.93273  Sterimol/B2: 3.10451  Sterimol/B3: 3.51069
  Sterimol/B4: 4.18503  Sterimol/L: 11.272 
 
 Surface and Volume Properties
  Accessible surface: 361.419  Positive charged surface: 200.129  Negative charged surface: 161.291  Volume: 166.625
  Hydrophobic surface: 213.265  Hydrophilic surface: 148.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.