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PUBCHEM-ZINC05051135

 MMsINC code: MMs03194132
Type: Neutral
Formula: C11H17NO3S2
SMILES:   S(C)c1ccc(S(=O)(=O)NCCCOC)cc1
InChI:   InChI=1/C11H17NO3S2/c1-15-9-3-8-12-17(13,14)11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.2987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.393 g/mol  logS: -2.58867  SlogP: 1.7233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695513  Sterimol/B1: 2.96631  Sterimol/B2: 3.21073  Sterimol/B3: 4.39567
  Sterimol/B4: 7.55539  Sterimol/L: 15.296 
 
 Surface and Volume Properties
  Accessible surface: 513.712  Positive charged surface: 318.871  Negative charged surface: 194.841  Volume: 250.75
  Hydrophobic surface: 377.782  Hydrophilic surface: 135.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.