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PUBCHEM-ZINC06301521

 MMsINC code: MMs03666138
Type: Neutral
Formula: C16H16FNO4S
SMILES:   S(=O)(=O)(NCc1cc(F)c(cc1)C)c1ccccc1C(OC)=O
InChI:   InChI=1/C16H16FNO4S/c1-11-7-8-12(9-14(11)17)10-18-23(20,21)15-6-4-3-5-13(15)16(19)22-2/h3-9,18H,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.371 g/mol  logS: -3.82794  SlogP: 2.66562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105192  Sterimol/B1: 3.21851  Sterimol/B2: 5.11093  Sterimol/B3: 5.14932
  Sterimol/B4: 5.6793  Sterimol/L: 14.9436 
 
 Surface and Volume Properties
  Accessible surface: 557.366  Positive charged surface: 324.077  Negative charged surface: 233.289  Volume: 293.625
  Hydrophobic surface: 470.133  Hydrophilic surface: 87.233
 
 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.