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PUBCHEM-ZINC02961278

 MMsINC code: MMs02967678
Type: Neutral
Formula: C11H14ClNO2S
SMILES:   Clc1ccc(SCC(=O)NCCOC)cc1
InChI:   InChI=1/C11H14ClNO2S/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.0357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.757 g/mol  logS: -3.45578  SlogP: 2.1947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182076  Sterimol/B1: 2.32767  Sterimol/B2: 2.55579  Sterimol/B3: 3.34753
  Sterimol/B4: 5.73692  Sterimol/L: 16.912 
 
 Surface and Volume Properties
  Accessible surface: 504.781  Positive charged surface: 304.3  Negative charged surface: 200.481  Volume: 236.875
  Hydrophobic surface: 414.334  Hydrophilic surface: 90.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.