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PUBCHEM-ZINC05361971

 MMsINC code: MMs03248898
Type: Neutral
Formula: C15H15ClN2O5S
SMILES:   Clc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2OC)cc1
InChI:   InChI=1/C15H15ClN2O5S/c1-22-13-4-2-3-5-14(13)23-10-15(19)17-18-24(20,21)12-8-6-11(16)7-9-12/h2-9,18H,10H2,1H3,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.813 g/mol  logS: -4.41938  SlogP: 1.7371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263664  Sterimol/B1: 3.08285  Sterimol/B2: 3.13695  Sterimol/B3: 3.54881
  Sterimol/B4: 7.04054  Sterimol/L: 17.2435 
 
 Surface and Volume Properties
  Accessible surface: 606.078  Positive charged surface: 310.717  Negative charged surface: 295.361  Volume: 308
  Hydrophobic surface: 457.368  Hydrophilic surface: 148.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.