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PUBCHEM-ZINC05259973

 MMsINC code: MMs03228513
Type: Neutral
Formula: C11H17NO3S
SMILES:   S(=O)(=O)(Nc1cc(ccc1O)C)CCCC
InChI:   InChI=1/C11H17NO3S/c1-3-4-7-16(14,15)12-10-8-9(2)5-6-11(10)13/h5-6,8,12-13H,3-4,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=28.2864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.327 g/mol  logS: -2.37903  SlogP: 2.24242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148079  Sterimol/B1: 2.83287  Sterimol/B2: 3.7096  Sterimol/B3: 4.84336
  Sterimol/B4: 5.58712  Sterimol/L: 12.6973 
 
 Surface and Volume Properties
  Accessible surface: 466.511  Positive charged surface: 287.603  Negative charged surface: 178.908  Volume: 226.875
  Hydrophobic surface: 321.584  Hydrophilic surface: 144.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.