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AURORAFEINCHEMIE-ZINC03958490

 MMsINC code: MMs00459679
Type: Neutral
Formula: C13H12F3NO3
SMILES:   FC(F)(F)C1=CC(=O)N(c2c1cc(OC)c(OC)c2)C
InChI:   InChI=1/C13H12F3NO3/c1-17-9-6-11(20-3)10(19-2)4-7(9)8(5-12(17)18)13(14,15)16/h4-6H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.237 g/mol  logS: -3.30254  SlogP: 3.0458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389945  Sterimol/B1: 2.63787  Sterimol/B2: 2.63946  Sterimol/B3: 3.01131
  Sterimol/B4: 9.37362  Sterimol/L: 12.1168 
 
 Surface and Volume Properties
  Accessible surface: 458.209  Positive charged surface: 294.575  Negative charged surface: 163.634  Volume: 235.5
  Hydrophobic surface: 308.391  Hydrophilic surface: 149.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.