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PUBCHEM-ZINC03125476

 MMsINC code: MMs02997717
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccccc1NC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-21-11-6-8-12(9-7-11)22(19,20)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.1673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.30667  SlogP: 2.761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352074  Sterimol/B1: 3.36749  Sterimol/B2: 3.87697  Sterimol/B3: 3.95955
  Sterimol/B4: 5.36957  Sterimol/L: 18.6868 
 
 Surface and Volume Properties
  Accessible surface: 561.263  Positive charged surface: 294.624  Negative charged surface: 266.638  Volume: 289.75
  Hydrophobic surface: 462.351  Hydrophilic surface: 98.912
 
 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.