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ENAMINE-ZINC03598174

MMsINC code: MMs01520412

Type: Neutral
Formula: C16H17FN2O3S2
SMILES:   S(CC(=O)NCCc1ccc(S(=O)(=O)N)cc1)c1ccc(F)cc1
InChI:   InChI=1/C16H17FN2O3S2/c17-13-3-5-14(6-4-13)23-11-16(20)19-10-9-12-1-7-15(8-2-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=37.6074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.453 g/mol  logS: -4.92981  SlogP: 1.92407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254205  Sterimol/B1: 2.43464  Sterimol/B2: 3.47049  Sterimol/B3: 4.41513
  Sterimol/B4: 4.81811  Sterimol/L: 21.5768 
 
 Surface and Volume Properties
  Accessible surface: 615.124  Positive charged surface: 317.722  Negative charged surface: 297.402  Volume: 319.125
  Hydrophobic surface: 401.498  Hydrophilic surface: 213.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01520413
ENAMINE-ZINC03598174