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NCID-ZINC01732373

 MMsINC code: MMs02355142
Type: Neutral
Formula: C10H23NO2S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)CC
InChI:   InChI=1/C10H23NO2S/c1-4-7-9-11(10-8-5-2)14(12,13)6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.86529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.365 g/mol  logS: -1.89019  SlogP: 2.2383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112656  Sterimol/B1: 2.29598  Sterimol/B2: 2.44125  Sterimol/B3: 4.47273
  Sterimol/B4: 8.52173  Sterimol/L: 13.0969 
 
 Surface and Volume Properties
  Accessible surface: 474.441  Positive charged surface: 335.978  Negative charged surface: 138.462  Volume: 234.25
  Hydrophobic surface: 355.667  Hydrophilic surface: 118.774
 
 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.