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MAYBRIDGE-ZINC00140616

 MMsINC code: MMs02139410
Type: Neutral
Formula: C14H14FNO4S2
SMILES:   s1ccc(NS(=O)(=O)c2cc(C)c(F)c(c2)C)c1C(OC)=O
InChI:   InChI=1/C14H14FNO4S2/c1-8-6-10(7-9(2)12(8)15)22(18,19)16-11-4-5-21-13(11)14(17)20-3/h4-7,16H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.399 g/mol  logS: -3.85104  SlogP: 3.09144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262922  Sterimol/B1: 2.11853  Sterimol/B2: 4.19772  Sterimol/B3: 5.20667
  Sterimol/B4: 8.66347  Sterimol/L: 12.3626 
 
 Surface and Volume Properties
  Accessible surface: 539.438  Positive charged surface: 292.118  Negative charged surface: 247.32  Volume: 283.5
  Hydrophobic surface: 432.87  Hydrophilic surface: 106.568
 
 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.