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MAYBRIDGE-ZINC03164558

 MMsINC code: MMs02161898
Type: Neutral
Formula: C4H3F6NO
SMILES:   FC(F)(F)C(C(=O)N)C(F)(F)F
InChI:   InChI=1/C4H3F6NO/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H2,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-26.4049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.062 g/mol  logS: -1.79156  SlogP: 2.0523  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.226268  Sterimol/B1: 2.56718  Sterimol/B2: 3.53897  Sterimol/B3: 3.56888
  Sterimol/B4: 3.59494  Sterimol/L: 8.39619 
 
 Surface and Volume Properties
  Accessible surface: 279.498  Positive charged surface: 78.8461  Negative charged surface: 200.652  Volume: 112.5
  Hydrophobic surface: 16.894  Hydrophilic surface: 262.604
 
 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.