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ASINEX-ZINC02827825

 MMsINC code: MMs00278718
Type: Neutral
Formula: C15H20Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCOC
InChI:   InChI=1/C15H20Cl2N2O4S/c1-23-9-6-18-15(20)11-4-7-19(8-5-11)24(21,22)14-10-12(16)2-3-13(14)17/h2-3,10-11H,4-9H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=39.5557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.307 g/mol  logS: -3.39109  SlogP: 2.1567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645125  Sterimol/B1: 2.93696  Sterimol/B2: 3.23683  Sterimol/B3: 5.31686
  Sterimol/B4: 6.32119  Sterimol/L: 17.9669 
 
 Surface and Volume Properties
  Accessible surface: 613.752  Positive charged surface: 368.283  Negative charged surface: 245.468  Volume: 331.625
  Hydrophobic surface: 517.648  Hydrophilic surface: 96.104
 
 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.