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NCID-ZINC01675405

 MMsINC code: MMs02310749
Type: Neutral
Formula: C6H9F3O
SMILES:   FC(F)(F)C(=O)CCCC
InChI:   InChI=1/C6H9F3O/c1-2-3-4-5(10)6(7,8)9/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.4099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.131 g/mol  logS: -2.24445  SlogP: 2.7279  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0772741  Sterimol/B1: 2.63789  Sterimol/B2: 2.63824  Sterimol/B3: 2.92025
  Sterimol/B4: 3.22564  Sterimol/L: 11.1191 
 
 Surface and Volume Properties
  Accessible surface: 321.148  Positive charged surface: 158.003  Negative charged surface: 163.146  Volume: 128.25
  Hydrophobic surface: 156.597  Hydrophilic surface: 164.551
 
 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.