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ASINEX-ZINC01325534

 MMsINC code: MMs00235028
Type: Neutral
Formula: C19H23FN2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChI:   InChI=1/C19H23FN2O4S2/c20-16-8-6-15(7-9-16)14-21-27(23,24)18-10-12-19(13-11-18)28(25,26)22-17-4-2-1-3-5-17/h6-13,17,21-22H,1-5,14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.93466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.533 g/mol  logS: -4.59486  SlogP: 3.1816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703985  Sterimol/B1: 3.20226  Sterimol/B2: 4.59368  Sterimol/B3: 5.05707
  Sterimol/B4: 5.86929  Sterimol/L: 19.6358 
 
 Surface and Volume Properties
  Accessible surface: 664.541  Positive charged surface: 365.332  Negative charged surface: 299.209  Volume: 367.75
  Hydrophobic surface: 503.668  Hydrophilic surface: 160.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.