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NIH-ZINC00619856

 MMsINC code: MMs02522117
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1C)c1cc(C)c(F)cc1
InChI:   InChI=1/C14H14FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h3-9,16H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -3.66264  SlogP: 3.24334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27662  Sterimol/B1: 2.55248  Sterimol/B2: 3.33779  Sterimol/B3: 6.06714
  Sterimol/B4: 6.08789  Sterimol/L: 11.0322 
 
 Surface and Volume Properties
  Accessible surface: 465.854  Positive charged surface: 238.281  Negative charged surface: 227.573  Volume: 247.625
  Hydrophobic surface: 391.542  Hydrophilic surface: 74.312
 
 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.