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PUBCHEM-ZINC00456331

 MMsINC code: MMs02686893
Type: Neutral
Formula: C11H16FNO2S
SMILES:   S(=O)(=O)(NC(CC)CC)c1ccc(F)cc1
InChI:   InChI=1/C11H16FNO2S/c1-3-10(4-2)13-16(14,15)11-7-5-9(12)6-8-11/h5-8,10,13H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.56483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.318 g/mol  logS: -2.5758  SlogP: 2.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217391  Sterimol/B1: 3.05472  Sterimol/B2: 3.58204  Sterimol/B3: 4.64199
  Sterimol/B4: 5.82093  Sterimol/L: 12.4568 
 
 Surface and Volume Properties
  Accessible surface: 421.376  Positive charged surface: 239.844  Negative charged surface: 181.532  Volume: 224
  Hydrophobic surface: 320.424  Hydrophilic surface: 100.952
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.