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APOLLO-ZINC02584316

 MMsINC code: MMs00055615
Type: Neutral
Formula: C8H7F4NO
SMILES:   FC(F)(Oc1ccc(N)cc1)C(F)F
InChI:   InChI=1/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.142 g/mol  logS: -2.44355  SlogP: 3.3453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280419  Sterimol/B1: 2.62923  Sterimol/B2: 2.6466  Sterimol/B3: 2.8063
  Sterimol/B4: 4.86336  Sterimol/L: 12.0872 
 
 Surface and Volume Properties
  Accessible surface: 364.475  Positive charged surface: 163.968  Negative charged surface: 200.507  Volume: 157.875
  Hydrophobic surface: 165.922  Hydrophilic surface: 198.553
 
 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.