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ASINEX-ZINC04718835

 MMsINC code: MMs00364711
Type: Neutral
Formula: C11H15NO3S
SMILES:   S(=O)(=O)(C(C)(C)C)c1ccccc1\C=N/O
InChI:   InChI=1/C11H15NO3S/c1-11(2,3)16(14,15)10-7-5-4-6-9(10)8-12-13/h4-8,13H,1-3H3/b12-8-

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Potential Energy
Epot(MMFF94)=93.5781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -2.32853  SlogP: 2.0669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153816  Sterimol/B1: 2.58725  Sterimol/B2: 3.22319  Sterimol/B3: 4.70168
  Sterimol/B4: 6.20538  Sterimol/L: 11.0608 
 
 Surface and Volume Properties
  Accessible surface: 410.601  Positive charged surface: 225.074  Negative charged surface: 185.528  Volume: 219.875
  Hydrophobic surface: 237.626  Hydrophilic surface: 172.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.