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PUBCHEM-ZINC04947652

 MMsINC code: MMs03185515
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)=33.2766 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: 0.0304195  Sterimol/B1: 2.68858  Sterimol/B2: 3.17646  Sterimol/B3: 3.58456
  Sterimol/B4: 3.79856  Sterimol/L: 17.3784 
 
 Surface and Volume Properties
  Accessible surface: 498.147  Positive charged surface: 378.975  Negative charged surface: 119.171  Volume: 230
  Hydrophobic surface: 365.116  Hydrophilic surface: 133.031
 
 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.