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IFLAB-ZINC01067900

 MMsINC code: MMs01983103
Type: Neutral
Formula: C17H15ClN2O3S2
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1sc2c(n1)cccc2
InChI:   InChI=1/C17H15ClN2O3S2/c18-13-6-5-12(17-19-14-3-1-2-4-15(14)24-17)11-16(13)25(21,22)20-7-9-23-10-8-20/h1-6,11H,7-10H2

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Potential Energy
Epot(MMFF94)=78.4189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.903 g/mol  logS: -5.69498  SlogP: 3.6376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355997  Sterimol/B1: 2.66492  Sterimol/B2: 4.27946  Sterimol/B3: 4.67627
  Sterimol/B4: 5.5023  Sterimol/L: 17.7847 
 
 Surface and Volume Properties
  Accessible surface: 587.912  Positive charged surface: 321.547  Negative charged surface: 266.365  Volume: 326.625
  Hydrophobic surface: 496.032  Hydrophilic surface: 91.88
 
 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.