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ASINEX-ZINC00832283

 MMsINC code: MMs00185752
Type: Neutral
Formula: C16H16ClN3O4S
SMILES:   Clc1ccc(nc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1
InChI:   InChI=1/C16H16ClN3O4S/c17-13-4-5-15(18-11-13)19-16(21)12-2-1-3-14(10-12)25(22,23)20-6-8-24-9-7-20/h1-5,10-11H,6-9H2,(H,18,19,21)

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Potential Energy
Epot(MMFF94)=74.6144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.84 g/mol  logS: -3.34732  SlogP: 2.0082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396972  Sterimol/B1: 2.49786  Sterimol/B2: 3.11445  Sterimol/B3: 4.21047
  Sterimol/B4: 7.92944  Sterimol/L: 18.1923 
 
 Surface and Volume Properties
  Accessible surface: 586.082  Positive charged surface: 338.041  Negative charged surface: 248.041  Volume: 319.625
  Hydrophobic surface: 468.824  Hydrophilic surface: 117.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.