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CHEMDIV-ZINC00257556

 MMsINC code: MMs00846844
Type: Neutral
Formula: C11H14FNO4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(C(O)=O)c(F)cc1
InChI:   InChI=1/C11H14FNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.3 g/mol  logS: -2.21724  SlogP: 1.5544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119401  Sterimol/B1: 2.40026  Sterimol/B2: 2.56268  Sterimol/B3: 5.2712
  Sterimol/B4: 6.89215  Sterimol/L: 13.0521 
 
 Surface and Volume Properties
  Accessible surface: 449.069  Positive charged surface: 250.169  Negative charged surface: 198.9  Volume: 234
  Hydrophobic surface: 261.763  Hydrophilic surface: 187.306
 
 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


MMs00846845
CHEMDIV-ZINC00257556