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ASINEX-ZINC00479684

 MMsINC code: MMs00136885
Type: Neutral
Formula: C14H19FN2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NCC1OCCC1)c1cc(F)ccc1)C
InChI:   InChI=1/C14H19FN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.38 g/mol  logS: -2.46101  SlogP: 0.8869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565985  Sterimol/B1: 2.22849  Sterimol/B2: 2.78265  Sterimol/B3: 4.1078
  Sterimol/B4: 8.24188  Sterimol/L: 15.6808 
 
 Surface and Volume Properties
  Accessible surface: 554.768  Positive charged surface: 342.688  Negative charged surface: 212.08  Volume: 288
  Hydrophobic surface: 453.892  Hydrophilic surface: 100.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.