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APOLLO-ZINC02167953

 MMsINC code: MMs00050906
Type: Neutral
Formula: C7H9F3O
SMILES:   FC(F)(F)C1CC(=O)CCC1
InChI:   InChI=1/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5H,1-4H2/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.3186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.142 g/mol  logS: -1.39743  SlogP: 2.7279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205637  Sterimol/B1: 2.48477  Sterimol/B2: 2.67018  Sterimol/B3: 3.19524
  Sterimol/B4: 5.16483  Sterimol/L: 9.07125 
 
 Surface and Volume Properties
  Accessible surface: 307.942  Positive charged surface: 152.143  Negative charged surface: 155.799  Volume: 135.25
  Hydrophobic surface: 169.211  Hydrophilic surface: 138.731
 
 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.