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ASINEX-ZINC00826746

 MMsINC code: MMs00183348
Type: Neutral
Formula: C17H25ClN2O4S2
SMILES:   Clc1cc(S(=O)(=O)N2CCCCC2)c(C)c(S(=O)(=O)N2CCCCC2)c1
InChI:   InChI=1/C17H25ClN2O4S2/c1-14-16(25(21,22)19-8-4-2-5-9-19)12-15(18)13-17(14)26(23,24)20-10-6-3-7-11-20/h12-13H,2-11H2,1H3

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Potential Energy
Epot(MMFF94)=54.3599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.982 g/mol  logS: -3.61506  SlogP: 2.99762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163516  Sterimol/B1: 2.52106  Sterimol/B2: 5.07107  Sterimol/B3: 5.45789
  Sterimol/B4: 7.1873  Sterimol/L: 13.5413 
 
 Surface and Volume Properties
  Accessible surface: 592.073  Positive charged surface: 341.241  Negative charged surface: 250.832  Volume: 353.5
  Hydrophobic surface: 491.235  Hydrophilic surface: 100.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.