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ASINEX-ZINC04559393

 MMsINC code: MMs00352226
Type: Neutral
Formula: C16H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC)cc1
InChI:   InChI=1/C16H23ClN2O4S/c1-23-12-2-9-18-16(20)13-7-10-19(11-8-13)24(21,22)15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=25.9626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.889 g/mol  logS: -2.85857  SlogP: 1.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828502  Sterimol/B1: 3.66589  Sterimol/B2: 4.12869  Sterimol/B3: 5.80608
  Sterimol/B4: 5.93603  Sterimol/L: 17.2803 
 
 Surface and Volume Properties
  Accessible surface: 623.83  Positive charged surface: 405.48  Negative charged surface: 218.35  Volume: 335.625
  Hydrophobic surface: 518.063  Hydrophilic surface: 105.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.