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ENAMINE-ZINC03199345

 MMsINC code: MMs01303764
Type: Neutral
Formula: C11H15NO3S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(O)cc1
InChI:   InChI=1/C11H15NO3S/c13-10-4-6-11(7-5-10)16(14,15)12-8-2-1-3-9-12/h4-7,13H,1-3,8-9H2

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Potential Energy
Epot(MMFF94)=19.4438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.69064  SlogP: 1.5668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933768  Sterimol/B1: 2.42266  Sterimol/B2: 3.05254  Sterimol/B3: 4.24378
  Sterimol/B4: 4.82684  Sterimol/L: 13.6283 
 
 Surface and Volume Properties
  Accessible surface: 430.19  Positive charged surface: 273.932  Negative charged surface: 156.258  Volume: 217.125
  Hydrophobic surface: 324.813  Hydrophilic surface: 105.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.