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PUBCHEM-ZINC05980656

 MMsINC code: MMs03476015
Type: Neutral
Formula: C8H19NO2S
SMILES:   S(=O)(=O)(N(C(C)C)C(C)C)CC
InChI:   InChI=1/C8H19NO2S/c1-6-12(10,11)9(7(2)3)8(4)5/h7-8H,6H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.311 g/mol  logS: -1.11063  SlogP: 1.4549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299569  Sterimol/B1: 3.56218  Sterimol/B2: 3.7375  Sterimol/B3: 3.97151
  Sterimol/B4: 4.9186  Sterimol/L: 10.4325 
 
 Surface and Volume Properties
  Accessible surface: 379.113  Positive charged surface: 241.387  Negative charged surface: 137.726  Volume: 196.25
  Hydrophobic surface: 243.269  Hydrophilic surface: 135.844
 
 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.