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CHEMBRIDGE-ZINC02810338

 MMsINC code: MMs00716932
Type: Neutral
Formula: C15H19F3N2O3
SMILES:   FC(F)(F)c1cc(NC(=O)C(=O)NCCCOC(C)C)ccc1
InChI:   InChI=1/C15H19F3N2O3/c1-10(2)23-8-4-7-19-13(21)14(22)20-12-6-3-5-11(9-12)15(16,17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,21)(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.322 g/mol  logS: -3.81492  SlogP: 2.8867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210131  Sterimol/B1: 3.00577  Sterimol/B2: 3.39052  Sterimol/B3: 3.65714
  Sterimol/B4: 4.65707  Sterimol/L: 20.5133 
 
 Surface and Volume Properties
  Accessible surface: 606.315  Positive charged surface: 344.848  Negative charged surface: 261.468  Volume: 292.125
  Hydrophobic surface: 355.451  Hydrophilic surface: 250.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.