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ASINEX-ZINC02932707

 MMsINC code: MMs00281448
Type: Neutral
Formula: C19H23FN2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NCCCOC)c1ccc(cc1)C)c1ccc(F)cc1
InChI:   InChI=1/C19H23FN2O4S/c1-15-4-8-17(9-5-15)22(14-19(23)21-12-3-13-26-2)27(24,25)18-10-6-16(20)7-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -4.40818  SlogP: 2.48212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598087  Sterimol/B1: 2.14689  Sterimol/B2: 3.26299  Sterimol/B3: 4.66215
  Sterimol/B4: 11.6984  Sterimol/L: 18.5771 
 
 Surface and Volume Properties
  Accessible surface: 677.982  Positive charged surface: 437.077  Negative charged surface: 240.905  Volume: 361.625
  Hydrophobic surface: 581.063  Hydrophilic surface: 96.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.