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APOLLO-ZINC02382145

 MMsINC code: MMs00051758
Type: Neutral
Formula: C8H4F5NO
SMILES:   Fc1cc(F)c(cc1C(=O)N)C(F)(F)F
InChI:   InChI=1/C8H4F5NO/c9-5-2-6(10)4(8(11,12)13)1-3(5)7(14)15/h1-2H,(H2,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.116 g/mol  logS: -3.28351  SlogP: 2.394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287941  Sterimol/B1: 2.63777  Sterimol/B2: 2.63837  Sterimol/B3: 3.4915
  Sterimol/B4: 5.19487  Sterimol/L: 9.70336 
 
 Surface and Volume Properties
  Accessible surface: 339.767  Positive charged surface: 114.986  Negative charged surface: 224.781  Volume: 152.375
  Hydrophobic surface: 140.727  Hydrophilic surface: 199.04
 
 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.