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PUBCHEM-ZINC02734657

 MMsINC code: MMs02913171
Type: Neutral
Formula: C8H20N2O2S
SMILES:   S(=O)(=O)(N(C)C)NCCCCCC
InChI:   InChI=1/C8H20N2O2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h9H,4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-37.0574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.326 g/mol  logS: -1.24651  SlogP: 0.9627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635141  Sterimol/B1: 3.0711  Sterimol/B2: 3.58007  Sterimol/B3: 4.0527
  Sterimol/B4: 4.32854  Sterimol/L: 14.8422 
 
 Surface and Volume Properties
  Accessible surface: 451.152  Positive charged surface: 354.713  Negative charged surface: 96.4381  Volume: 208.375
  Hydrophobic surface: 347.098  Hydrophilic surface: 104.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.