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KEYORGANICS-ZINC04105580

 MMsINC code: MMs02123323
Type: Neutral
Formula: C15H20F3NO4
SMILES:   FC(F)(F)COc1ccc(cc1)C(=O)NCC(OCC)OCC
InChI:   InChI=1/C15H20F3NO4/c1-3-21-13(22-4-2)9-19-14(20)11-5-7-12(8-6-11)23-10-15(16,17)18/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.322 g/mol  logS: -3.48481  SlogP: 3.1765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127757  Sterimol/B1: 2.29781  Sterimol/B2: 3.22942  Sterimol/B3: 6.65091
  Sterimol/B4: 7.84443  Sterimol/L: 15.6389 
 
 Surface and Volume Properties
  Accessible surface: 616.593  Positive charged surface: 356.62  Negative charged surface: 259.972  Volume: 297.625
  Hydrophobic surface: 402.579  Hydrophilic surface: 214.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.