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NCID-ZINC01618708

 MMsINC code: MMs02267395
Type: Neutral
Formula: C13H19ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CCC)C(=O)NCCC)cc1
InChI:   InChI=1/C13H19ClN2O3S/c1-3-9-15-13(17)16(10-4-2)20(18,19)12-7-5-11(14)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=-9.81304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.825 g/mol  logS: -3.33754  SlogP: 2.8603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115315  Sterimol/B1: 2.91613  Sterimol/B2: 3.46972  Sterimol/B3: 5.0345
  Sterimol/B4: 8.44547  Sterimol/L: 15.1025 
 
 Surface and Volume Properties
  Accessible surface: 551.524  Positive charged surface: 304.943  Negative charged surface: 246.582  Volume: 286.5
  Hydrophobic surface: 433.297  Hydrophilic surface: 118.227
 
 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.