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ENAMINE-ZINC03581363

 MMsINC code: MMs01517510
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC)=O)c1ccccc1F
InChI:   InChI=1/C15H14FNO4S/c1-2-21-15(18)11-7-3-5-9-13(11)17-22(19,20)14-10-6-4-8-12(14)16/h3-10,17H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.6548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -4.05064  SlogP: 2.8032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302387  Sterimol/B1: 4.36446  Sterimol/B2: 4.54784  Sterimol/B3: 5.74091
  Sterimol/B4: 6.14586  Sterimol/L: 12.4208 
 
 Surface and Volume Properties
  Accessible surface: 507.628  Positive charged surface: 292.767  Negative charged surface: 214.861  Volume: 276.375
  Hydrophobic surface: 388.448  Hydrophilic surface: 119.18
 
 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.