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ENAMINE-ZINC03532645

 MMsINC code: MMs01494505
Type: Neutral
Formula: C15H13F2NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC)=O)c1c(F)cccc1F
InChI:   InChI=1/C15H13F2NO4S/c1-2-22-15(19)10-6-3-4-9-13(10)18-23(20,21)14-11(16)7-5-8-12(14)17/h3-9,18H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.4859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.334 g/mol  logS: -4.34562  SlogP: 2.9423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211407  Sterimol/B1: 3.5365  Sterimol/B2: 4.15303  Sterimol/B3: 5.54119
  Sterimol/B4: 6.74255  Sterimol/L: 13.0384 
 
 Surface and Volume Properties
  Accessible surface: 524.851  Positive charged surface: 283.494  Negative charged surface: 241.357  Volume: 277.25
  Hydrophobic surface: 408.588  Hydrophilic surface: 116.263
 
 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.