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APOLLO-ZINC02382436

 MMsINC code: MMs00051833
Type: Neutral
Formula: C14H9F3O
SMILES:   FC(F)(F)c1ccc(cc1)-c1ccccc1C=O
InChI:   InChI=1/C14H9F3O/c15-14(16,17)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.0888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.219 g/mol  logS: -4.87392  SlogP: 4.4964  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0550201  Sterimol/B1: 2.73689  Sterimol/B2: 2.82703  Sterimol/B3: 3.5287
  Sterimol/B4: 5.23799  Sterimol/L: 13.0949 
 
 Surface and Volume Properties
  Accessible surface: 431.116  Positive charged surface: 170.284  Negative charged surface: 256.649  Volume: 214.5
  Hydrophobic surface: 273.213  Hydrophilic surface: 157.903
 
 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.