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NCID-ZINC01675527

 MMsINC code: MMs02310871
Type: Neutral
Formula: C5H7F3O
SMILES:   FC(F)(F)C(=O)CCC
InChI:   InChI=1/C5H7F3O/c1-2-3-4(9)5(6,7)8/h2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.104 g/mol  logS: -1.72923  SlogP: 2.3378  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10183  Sterimol/B1: 2.20411  Sterimol/B2: 2.63855  Sterimol/B3: 2.63859
  Sterimol/B4: 3.71206  Sterimol/L: 9.95933 
 
 Surface and Volume Properties
  Accessible surface: 291.721  Positive charged surface: 130.338  Negative charged surface: 161.382  Volume: 112.25
  Hydrophobic surface: 125.09  Hydrophilic surface: 166.631
 
 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.