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PUBCHEM-ZINC04831688

 MMsINC code: MMs03177374
Type: Neutral
Formula: C11H25NO4S
SMILES:   S(O)(=O)(=O)CC(O)CN(CCCC)CCCC
InChI:   InChI=1/C11H25NO4S/c1-3-5-7-12(8-6-4-2)9-11(13)10-17(14,15)16/h11,13H,3-10H2,1-2H3,(H,14,15,16)/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.4123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.39 g/mol  logS: -1.39484  SlogP: 0.5716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956153  Sterimol/B1: 2.07713  Sterimol/B2: 3.09247  Sterimol/B3: 3.66095
  Sterimol/B4: 10.8959  Sterimol/L: 13.5301 
 
 Surface and Volume Properties
  Accessible surface: 535.121  Positive charged surface: 366.349  Negative charged surface: 168.772  Volume: 261
  Hydrophobic surface: 337.493  Hydrophilic surface: 197.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.