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ENAMINE-ZINC03358106

 MMsINC code: MMs01394145
Type: Neutral
Formula: C14H15NO3S
SMILES:   S(=O)(=O)(Nc1cc(Oc2ccccc2)ccc1)CC
InChI:   InChI=1/C14H15NO3S/c1-2-19(16,17)15-12-7-6-10-14(11-12)18-13-8-4-3-5-9-13/h3-11,15H,2H2,1H3

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Potential Energy
Epot(MMFF94)=49.7067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.344 g/mol  logS: -3.33278  SlogP: 3.2405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112344  Sterimol/B1: 2.31232  Sterimol/B2: 2.7551  Sterimol/B3: 4.53028
  Sterimol/B4: 7.11375  Sterimol/L: 13.3109 
 
 Surface and Volume Properties
  Accessible surface: 488.385  Positive charged surface: 269.409  Negative charged surface: 218.977  Volume: 253.5
  Hydrophobic surface: 388.02  Hydrophilic surface: 100.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.