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CHEMBRIDGE-ZINC01231981

 MMsINC code: MMs00692594
Type: Neutral
Formula: C14H15F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(C(OC(C)C)=O)C)cc1
InChI:   InChI=1/C14H15F6NO3/c1-8(2)24-11(22)21(3)10-6-4-9(5-7-10)12(23,13(15,16)17)14(18,19)20/h4-8,23H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.4496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.266 g/mol  logS: -4.14922  SlogP: 5.1313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870206  Sterimol/B1: 2.3312  Sterimol/B2: 2.77682  Sterimol/B3: 4.95041
  Sterimol/B4: 5.8839  Sterimol/L: 15.9287 
 
 Surface and Volume Properties
  Accessible surface: 540.726  Positive charged surface: 271.773  Negative charged surface: 268.953  Volume: 278
  Hydrophobic surface: 281.97  Hydrophilic surface: 258.756
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.