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ASINEX-ZINC00869544

 MMsINC code: MMs00201067
Type: Neutral
Formula: C15H15ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NNC(=O)Cc2ccccc2OC)cc1
InChI:   InChI=1/C15H15ClN2O4S/c1-22-14-5-3-2-4-11(14)10-15(19)17-18-23(20,21)13-8-6-12(16)7-9-13/h2-9,18H,10H2,1H3,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.814 g/mol  logS: -4.40403  SlogP: 1.90077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875444  Sterimol/B1: 2.4334  Sterimol/B2: 4.0911  Sterimol/B3: 5.53976
  Sterimol/B4: 7.34426  Sterimol/L: 16.9362 
 
 Surface and Volume Properties
  Accessible surface: 586.151  Positive charged surface: 304.064  Negative charged surface: 282.087  Volume: 301.75
  Hydrophobic surface: 461.546  Hydrophilic surface: 124.605
 
 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.