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ACROSORGANICS-ZINC01577165

 MMsINC code: MMs00009417
Type: Neutral
Formula: C8H18O2S
SMILES:   S(=O)(=O)(CCCC)CCCC
InChI:   InChI=1/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.801778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.296 g/mol  logS: -1.79011  SlogP: 2.0014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408101  Sterimol/B1: 2.91265  Sterimol/B2: 3.03545  Sterimol/B3: 3.03622
  Sterimol/B4: 3.03672  Sterimol/L: 15.0764 
 
 Surface and Volume Properties
  Accessible surface: 413.65  Positive charged surface: 286.285  Negative charged surface: 127.366  Volume: 184.25
  Hydrophobic surface: 310.706  Hydrophilic surface: 102.944
 
 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.