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PUBCHEM-ZINC00102397

 MMsINC code: MMs02632805
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1CC)c1ccc(F)cc1
InChI:   InChI=1/C14H14FNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -4.01739  SlogP: 3.18887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.355098  Sterimol/B1: 2.574  Sterimol/B2: 3.20006  Sterimol/B3: 5.76029
  Sterimol/B4: 7.39753  Sterimol/L: 10.7295 
 
 Surface and Volume Properties
  Accessible surface: 450.499  Positive charged surface: 228.483  Negative charged surface: 222.016  Volume: 249
  Hydrophobic surface: 360.562  Hydrophilic surface: 89.937
 
 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.