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CHEMBLOCK-ZINC04753650

 MMsINC code: MMs00577261
Type: Neutral
Formula: C8H18O3S
SMILES:   S(=O)(=O)(CCCCCC)CCO
InChI:   InChI=1/C8H18O3S/c1-2-3-4-5-7-12(10,11)8-6-9/h9H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.0156737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.295 g/mol  logS: -1.57381  SlogP: 0.9738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362095  Sterimol/B1: 2.94459  Sterimol/B2: 2.95648  Sterimol/B3: 3.03555
  Sterimol/B4: 3.03599  Sterimol/L: 16.0353 
 
 Surface and Volume Properties
  Accessible surface: 433.22  Positive charged surface: 308.641  Negative charged surface: 124.578  Volume: 191.5
  Hydrophobic surface: 297.708  Hydrophilic surface: 135.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.