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PUBCHEM-ZINC00316412

 MMsINC code: MMs02652842
Type: Neutral
Formula: C14H19ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)C)cc1
InChI:   InChI=1/C14H19ClN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=41.4803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.836 g/mol  logS: -3.16122  SlogP: 2.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635197  Sterimol/B1: 2.06655  Sterimol/B2: 3.00521  Sterimol/B3: 4.28689
  Sterimol/B4: 7.34509  Sterimol/L: 17.0562 
 
 Surface and Volume Properties
  Accessible surface: 555.923  Positive charged surface: 327.85  Negative charged surface: 228.073  Volume: 293.875
  Hydrophobic surface: 471.104  Hydrophilic surface: 84.819
 
 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.