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CHEMBRIDGE-ZINC02841056

 MMsINC code: MMs00724449
Type: Neutral
Formula: C13H15F3N2O2
SMILES:   FC(F)(F)c1cc(NC(=O)C(=O)N(CC)CC)ccc1
InChI:   InChI=1/C13H15F3N2O2/c1-3-18(4-2)12(20)11(19)17-10-7-5-6-9(8-10)13(14,15)16/h5-8H,3-4H2,1-2H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.5012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.269 g/mol  logS: -3.36452  SlogP: 2.8238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909693  Sterimol/B1: 2.38757  Sterimol/B2: 3.89047  Sterimol/B3: 4.91952
  Sterimol/B4: 5.1019  Sterimol/L: 14.3134 
 
 Surface and Volume Properties
  Accessible surface: 492.184  Positive charged surface: 262.682  Negative charged surface: 229.502  Volume: 249.875
  Hydrophobic surface: 291.48  Hydrophilic surface: 200.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.