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ASINEX-ZINC00909580

 MMsINC code: MMs00216191
Type: Neutral
Formula: C18H19FN2O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1ccccc1F)c1cc2OCCOc2cc1
InChI:   InChI=1/C18H19FN2O4S/c19-15-3-1-2-4-16(15)20-7-9-21(10-8-20)26(22,23)14-5-6-17-18(13-14)25-12-11-24-17/h1-6,13H,7-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.424 g/mol  logS: -3.71361  SlogP: 2.1078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130842  Sterimol/B1: 2.4423  Sterimol/B2: 3.92728  Sterimol/B3: 4.26409
  Sterimol/B4: 8.64669  Sterimol/L: 15.5979 
 
 Surface and Volume Properties
  Accessible surface: 588.58  Positive charged surface: 375.605  Negative charged surface: 212.975  Volume: 331.375
  Hydrophobic surface: 498.826  Hydrophilic surface: 89.754
 
 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.