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APOLLO-ZINC02575081

 MMsINC code: MMs00055012
Type: Neutral
Formula: C8H5F4NO
SMILES:   Fc1cccc(C(F)(F)F)c1C(=O)N
InChI:   InChI=1/C8H5F4NO/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H2,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.6515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.126 g/mol  logS: -2.98853  SlogP: 2.2549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120471  Sterimol/B1: 2.67563  Sterimol/B2: 3.46225  Sterimol/B3: 4.30066
  Sterimol/B4: 4.68565  Sterimol/L: 9.74395 
 
 Surface and Volume Properties
  Accessible surface: 335.484  Positive charged surface: 126.332  Negative charged surface: 209.152  Volume: 151.625
  Hydrophobic surface: 158.83  Hydrophilic surface: 176.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.