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PUBCHEM-ZINC02383316

 MMsINC code: MMs02886274
Type: Neutral
Formula: C11H23NO3S
SMILES:   S(=O)(=O)(CCCCCCCCCC(=O)N)C
InChI:   InChI=1/C11H23NO3S/c1-16(14,15)10-8-6-4-2-3-5-7-9-11(12)13/h2-10H2,1H3,(H2,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.60007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.375 g/mol  logS: -2.52838  SlogP: 1.6371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205867  Sterimol/B1: 2.1097  Sterimol/B2: 3.03542  Sterimol/B3: 3.03626
  Sterimol/B4: 3.84525  Sterimol/L: 19.8145 
 
 Surface and Volume Properties
  Accessible surface: 532.049  Positive charged surface: 375.995  Negative charged surface: 156.054  Volume: 248.5
  Hydrophobic surface: 356.177  Hydrophilic surface: 175.872
 
 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.