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PUBCHEM-ZINC06778917

 MMsINC code: MMs03858945
Type: Neutral
Formula: C15H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NC(C(=O)N(CCC)CCC)CO)cc1
InChI:   InChI=1/C15H23ClN2O4S/c1-3-9-18(10-4-2)15(20)14(11-19)17-23(21,22)13-7-5-12(16)6-8-13/h5-8,14,17,19H,3-4,9-11H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=45.1357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.878 g/mol  logS: -2.87915  SlogP: 1.6278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289158  Sterimol/B1: 2.74985  Sterimol/B2: 5.13781  Sterimol/B3: 5.2279
  Sterimol/B4: 6.21414  Sterimol/L: 14.4288 
 
 Surface and Volume Properties
  Accessible surface: 584.419  Positive charged surface: 326.972  Negative charged surface: 257.447  Volume: 327
  Hydrophobic surface: 404.868  Hydrophilic surface: 179.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.