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PUBCHEM-ZINC04947657

 MMsINC code: MMs03185516
Type: Neutral
Formula: C10H22O3S
SMILES:   S(=O)(CC(O)COC(C)C)CCCC
InChI:   InChI=1/C10H22O3S/c1-4-5-6-14(12)8-10(11)7-13-9(2)3/h9-11H,4-8H2,1-3H3/t10-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=30.8471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.349 g/mol  logS: -1.48991  SlogP: 1.3211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035131  Sterimol/B1: 3.16614  Sterimol/B2: 3.43872  Sterimol/B3: 3.62745
  Sterimol/B4: 3.74718  Sterimol/L: 17.3836 
 
 Surface and Volume Properties
  Accessible surface: 499.567  Positive charged surface: 374.431  Negative charged surface: 125.136  Volume: 231.125
  Hydrophobic surface: 358.944  Hydrophilic surface: 140.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.