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PUBCHEM-ZINC02172926

 MMsINC code: MMs02880883
Type: Neutral
Formula: C7H16O3S
SMILES:   S(=O)(=O)(CCCC)CCCO
InChI:   InChI=1/C7H16O3S/c1-2-3-6-11(9,10)7-4-5-8/h8H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.49532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.268 g/mol  logS: -0.74514  SlogP: 0.5837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436755  Sterimol/B1: 2.8711  Sterimol/B2: 3.03503  Sterimol/B3: 3.03612
  Sterimol/B4: 3.19426  Sterimol/L: 14.7549 
 
 Surface and Volume Properties
  Accessible surface: 401.058  Positive charged surface: 277.546  Negative charged surface: 123.511  Volume: 176.625
  Hydrophobic surface: 265.073  Hydrophilic surface: 135.985
 
 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.