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PUBCHEM-ZINC05503050

 MMsINC code: MMs03289931
Type: Neutral
Formula: C10H20O2S
SMILES:   S(=O)(=O)(C(CCCCC)CC)C=C
InChI:   InChI=1/C10H20O2S/c1-4-7-8-9-10(5-2)13(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.334 g/mol  logS: -2.56831  SlogP: 2.9036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754621  Sterimol/B1: 3.10396  Sterimol/B2: 3.27657  Sterimol/B3: 3.83854
  Sterimol/B4: 5.06946  Sterimol/L: 14.0363 
 
 Surface and Volume Properties
  Accessible surface: 443.763  Positive charged surface: 287.805  Negative charged surface: 155.958  Volume: 211.625
  Hydrophobic surface: 313.434  Hydrophilic surface: 130.329
 
 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.