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ENAMINE-ZINC05120374

 MMsINC code: MMs01589554
Type: Neutral
Formula: C14H15ClN2O3S
SMILES:   Clc1ncc(S(=O)(=O)NC(C)c2ccccc2OC)cc1
InChI:   InChI=1/C14H15ClN2O3S/c1-10(12-5-3-4-6-13(12)20-2)17-21(18,19)11-7-8-14(15)16-9-11/h3-10,17H,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=33.9534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.804 g/mol  logS: -3.15576  SlogP: 2.8786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.340056  Sterimol/B1: 2.18425  Sterimol/B2: 2.64051  Sterimol/B3: 6.46331
  Sterimol/B4: 7.86172  Sterimol/L: 11.822 
 
 Surface and Volume Properties
  Accessible surface: 532.116  Positive charged surface: 274.537  Negative charged surface: 257.579  Volume: 281.375
  Hydrophobic surface: 418.171  Hydrophilic surface: 113.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.