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PUBCHEM-ZINC06048710

 MMsINC code: MMs03513939
Type: Neutral
Formula: C10H23NO2S
SMILES:   S(=O)(=O)(N(CC(C)C)CC(C)C)CC
InChI:   InChI=1/C10H23NO2S/c1-6-14(12,13)11(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.365 g/mol  logS: -1.26329  SlogP: 1.9501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228122  Sterimol/B1: 2.45793  Sterimol/B2: 3.59178  Sterimol/B3: 4.03786
  Sterimol/B4: 7.81103  Sterimol/L: 11.4865 
 
 Surface and Volume Properties
  Accessible surface: 442.901  Positive charged surface: 288.289  Negative charged surface: 154.612  Volume: 231
  Hydrophobic surface: 291.272  Hydrophilic surface: 151.629
 
 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.