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PUBCHEM-ZINC06892172

 MMsINC code: MMs03893047
Type: Neutral
Formula: C14H21F2NO4S
SMILES:   S(=O)(=O)(N(CCOCC)CCOCC)c1ccc(F)cc1F
InChI:   InChI=1/C14H21F2NO4S/c1-3-20-9-7-17(8-10-21-4-2)22(18,19)14-6-5-12(15)11-13(14)16/h5-6,11H,3-4,7-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.387 g/mol  logS: -2.8281  SlogP: 2.0285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100289  Sterimol/B1: 2.87808  Sterimol/B2: 3.64503  Sterimol/B3: 4.50935
  Sterimol/B4: 6.34957  Sterimol/L: 14.7008 
 
 Surface and Volume Properties
  Accessible surface: 523.417  Positive charged surface: 355.319  Negative charged surface: 168.098  Volume: 295.5
  Hydrophobic surface: 443.32  Hydrophilic surface: 80.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.