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NCID-ZINC01618706

 MMsINC code: MMs02267393
Type: Neutral
Formula: C11H15ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(C(=O)NCCC)C)cc1
InChI:   InChI=1/C11H15ClN2O3S/c1-3-8-13-11(15)14(2)18(16,17)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=-7.70034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.771 g/mol  logS: -2.80856  SlogP: 2.0801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999413  Sterimol/B1: 3.24842  Sterimol/B2: 3.60004  Sterimol/B3: 4.82445
  Sterimol/B4: 5.88713  Sterimol/L: 15.0441 
 
 Surface and Volume Properties
  Accessible surface: 496.595  Positive charged surface: 274.733  Negative charged surface: 221.862  Volume: 249.125
  Hydrophobic surface: 386.38  Hydrophilic surface: 110.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.