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MAYBRIDGE-ZINC03045936

 MMsINC code: MMs02159938
Type: Neutral
Formula: C10H15FN2O6S2
SMILES:   S(Oc1c(OS(=O)(=O)N(C)C)cccc1F)(=O)(=O)N(C)C
InChI:   InChI=1/C10H15FN2O6S2/c1-12(2)20(14,15)18-9-7-5-6-8(11)10(9)19-21(16,17)13(3)4/h5-7H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.368 g/mol  logS: -1.77254  SlogP: 0.1961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105869  Sterimol/B1: 2.53223  Sterimol/B2: 3.73393  Sterimol/B3: 4.45349
  Sterimol/B4: 5.96013  Sterimol/L: 13.7351 
 
 Surface and Volume Properties
  Accessible surface: 481.271  Positive charged surface: 317.345  Negative charged surface: 163.926  Volume: 261.875
  Hydrophobic surface: 361.227  Hydrophilic surface: 120.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.