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PUBCHEM-ZINC06157894

 MMsINC code: MMs03568918
Type: Neutral
Formula: C14H13FN2O2S
SMILES:   S(=O)(=O)(N\N=C(/C)\c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C14H13FN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.334 g/mol  logS: -4.11378  SlogP: 2.5282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116013  Sterimol/B1: 2.10875  Sterimol/B2: 2.89416  Sterimol/B3: 5.29815
  Sterimol/B4: 7.26276  Sterimol/L: 13.9398 
 
 Surface and Volume Properties
  Accessible surface: 504.485  Positive charged surface: 237.517  Negative charged surface: 266.968  Volume: 257.625
  Hydrophobic surface: 419.031  Hydrophilic surface: 85.454
 
 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.