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PUBCHEM-ZINC00882839

 MMsINC code: MMs02741145
Type: Neutral
Formula: C18H15FN2O4S
SMILES:   S(=O)(=O)(NNC(=O)COc1c2c(ccc1)cccc2)c1ccccc1F
InChI:   InChI=1/C18H15FN2O4S/c19-15-9-3-4-11-17(15)26(23,24)21-20-18(22)12-25-16-10-5-7-13-6-1-2-8-14(13)16/h1-11,21H,12H2,(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.392 g/mol  logS: -5.80757  SlogP: 2.3674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125101  Sterimol/B1: 2.90963  Sterimol/B2: 3.48531  Sterimol/B3: 3.83726
  Sterimol/B4: 6.122  Sterimol/L: 18.7838 
 
 Surface and Volume Properties
  Accessible surface: 602.133  Positive charged surface: 285.404  Negative charged surface: 305.658  Volume: 317
  Hydrophobic surface: 468.607  Hydrophilic surface: 133.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.