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ENAMINE-ZINC05062468

 MMsINC code: MMs01581100
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   S(CC(=O)NNS(=O)(=O)c1ccc(OCC)cc1)c1ccccc1
InChI:   InChI=1/C16H18N2O4S2/c1-2-22-13-8-10-15(11-9-13)24(20,21)18-17-16(19)12-23-14-6-4-3-5-7-14/h3-11,18H,2,12H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=103.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -4.98332  SlogP: 2.1871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263258  Sterimol/B1: 2.4181  Sterimol/B2: 2.84409  Sterimol/B3: 4.01474
  Sterimol/B4: 9.73951  Sterimol/L: 18.3972 
 
 Surface and Volume Properties
  Accessible surface: 632.129  Positive charged surface: 337.422  Negative charged surface: 294.707  Volume: 324.25
  Hydrophobic surface: 436.232  Hydrophilic surface: 195.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.