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PUBCHEM-ZINC00614966

 MMsINC code: MMs02713670
Type: Neutral
Formula: C14H22FNO2S
SMILES:   S(=O)(=O)(NC(CC(C)(C)C)(C)C)c1ccc(F)cc1
InChI:   InChI=1/C14H22FNO2S/c1-13(2,3)10-14(4,5)16-19(17,18)12-8-6-11(15)7-9-12/h6-9,16H,10H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.399 g/mol  logS: -4.2469  SlogP: 3.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157562  Sterimol/B1: 2.23978  Sterimol/B2: 3.03675  Sterimol/B3: 4.80755
  Sterimol/B4: 6.272  Sterimol/L: 13.7966 
 
 Surface and Volume Properties
  Accessible surface: 474.37  Positive charged surface: 259.386  Negative charged surface: 214.984  Volume: 266.875
  Hydrophobic surface: 352.618  Hydrophilic surface: 121.752
 
 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.