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APOLLO-ZINC01847505

 MMsINC code: MMs00050067
Type: Neutral
Formula: C8H4F4O
SMILES:   FC(=O)c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.5016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.111 g/mol  logS: -3.12599  SlogP: 3.1266  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0303208  Sterimol/B1: 2.15421  Sterimol/B2: 2.42781  Sterimol/B3: 2.81674
  Sterimol/B4: 4.84425  Sterimol/L: 10.0671 
 
 Surface and Volume Properties
  Accessible surface: 325.29  Positive charged surface: 94.4599  Negative charged surface: 230.83  Volume: 139.5
  Hydrophobic surface: 135.492  Hydrophilic surface: 189.798
 
 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.