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NCID-ZINC01732384

 MMsINC code: MMs02355150
Type: Neutral
Formula: C11H25NO2S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)CCC
InChI:   InChI=1/C11H25NO2S/c1-4-7-9-12(10-8-5-2)15(13,14)11-6-3/h4-11H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.80605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.392 g/mol  logS: -2.09196  SlogP: 2.6284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110456  Sterimol/B1: 2.49198  Sterimol/B2: 2.51715  Sterimol/B3: 4.73345
  Sterimol/B4: 9.23951  Sterimol/L: 13.5259 
 
 Surface and Volume Properties
  Accessible surface: 504.025  Positive charged surface: 360.982  Negative charged surface: 143.042  Volume: 250.375
  Hydrophobic surface: 384.837  Hydrophilic surface: 119.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.