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ENAMINE-ZINC05613954

 MMsINC code: MMs01627771
Type: Neutral
Formula: C19H19FN2O5S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)C1Oc2c(OC1)cccc2)c1ccc(F)cc1
InChI:   InChI=1/C19H19FN2O5S/c20-14-5-7-15(8-6-14)28(24,25)22-11-9-21(10-12-22)19(23)18-13-26-16-3-1-2-4-17(16)27-18/h1-8,18H,9-13H2/t18-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.434 g/mol  logS: -3.85278  SlogP: 1.4986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774903  Sterimol/B1: 3.51462  Sterimol/B2: 4.07268  Sterimol/B3: 4.45913
  Sterimol/B4: 6.03085  Sterimol/L: 18.4717 
 
 Surface and Volume Properties
  Accessible surface: 624.751  Positive charged surface: 353.855  Negative charged surface: 270.895  Volume: 345.625
  Hydrophobic surface: 519.347  Hydrophilic surface: 105.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.