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KEYORGANICS-ZINC04041526

 MMsINC code: MMs02118223
Type: Neutral
Formula: C11H15NO3S
SMILES:   S(=O)(=O)(CC\C(=N\OC)\C)c1ccccc1
InChI:   InChI=1/C11H15NO3S/c1-10(12-15-2)8-9-16(13,14)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b12-10-

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Potential Energy
Epot(MMFF94)=42.9508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.97375  SlogP: 1.8727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859763  Sterimol/B1: 2.23944  Sterimol/B2: 2.49154  Sterimol/B3: 5.04571
  Sterimol/B4: 6.57257  Sterimol/L: 14.5094 
 
 Surface and Volume Properties
  Accessible surface: 477.608  Positive charged surface: 293.61  Negative charged surface: 183.998  Volume: 227.125
  Hydrophobic surface: 401.024  Hydrophilic surface: 76.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.