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PUBCHEM-ZINC04866678

 MMsINC code: MMs03179722
Type: Neutral
Formula: C11H15FN2O3S
SMILES:   S(=O)(=O)(N(CC(=O)NC)CC)c1ccc(F)cc1
InChI:   InChI=1/C11H15FN2O3S/c1-3-14(8-11(15)13-2)18(16,17)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.8372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.316 g/mol  logS: -2.0932  SlogP: 0.5823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101192  Sterimol/B1: 2.40525  Sterimol/B2: 2.56251  Sterimol/B3: 5.26048
  Sterimol/B4: 6.95385  Sterimol/L: 14.2983 
 
 Surface and Volume Properties
  Accessible surface: 465.635  Positive charged surface: 283.08  Negative charged surface: 182.555  Volume: 238.625
  Hydrophobic surface: 343.228  Hydrophilic surface: 122.407
 
 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.