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ENAMINE-ZINC03458947

MMsINC code: MMs01455884

Type: Neutral
Formula: C13H13FN2O4S2
SMILES:   S(=O)(=O)(NCc1ccc(S(=O)(=O)N)cc1)c1ccccc1F
InChI:   InChI=1/C13H13FN2O4S2/c14-12-3-1-2-4-13(12)22(19,20)16-9-10-5-7-11(8-6-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-8.89127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.387 g/mol  logS: -3.51235  SlogP: 1.218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689102  Sterimol/B1: 2.3119  Sterimol/B2: 3.30019  Sterimol/B3: 3.86511
  Sterimol/B4: 6.01452  Sterimol/L: 16.1923 
 
 Surface and Volume Properties
  Accessible surface: 533.825  Positive charged surface: 243.388  Negative charged surface: 290.437  Volume: 272.25
  Hydrophobic surface: 317.484  Hydrophilic surface: 216.341
 
 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


MMs01455885
ENAMINE-ZINC03458947