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CHEMBLOCK-ZINC03668820

 MMsINC code: MMs00539911
Type: Neutral
Formula: C10H20O2S
SMILES:   S(=O)(=O)(CC(CCCC)CC)C=C
InChI:   InChI=1/C10H20O2S/c1-4-7-8-10(5-2)9-13(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=29.4048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.334 g/mol  logS: -2.75632  SlogP: 2.7611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870731  Sterimol/B1: 2.62968  Sterimol/B2: 3.18899  Sterimol/B3: 3.75122
  Sterimol/B4: 7.3575  Sterimol/L: 13.2905 
 
 Surface and Volume Properties
  Accessible surface: 442.803  Positive charged surface: 283.147  Negative charged surface: 159.656  Volume: 211.875
  Hydrophobic surface: 309.435  Hydrophilic surface: 133.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.