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PUBCHEM-ZINC06520181

 MMsINC code: MMs03778693
Type: Neutral
Formula: C14H15FN2O3S
SMILES:   S(C=1N(COCCF)C(=O)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C14H15FN2O3S/c1-10-12(18)16-14(19)17(9-20-8-7-15)13(10)21-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.9905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.349 g/mol  logS: -3.66634  SlogP: 2.5056  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.284939  Sterimol/B1: 2.3229  Sterimol/B2: 3.20846  Sterimol/B3: 6.43656
  Sterimol/B4: 7.81952  Sterimol/L: 12.8492 
 
 Surface and Volume Properties
  Accessible surface: 502.435  Positive charged surface: 287.439  Negative charged surface: 214.997  Volume: 270.625
  Hydrophobic surface: 331.065  Hydrophilic surface: 171.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.