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CHEMBLOCK-ZINC01436698

 MMsINC code: MMs00525185
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   s1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C16H18N2O4S2/c1-12-3-2-4-13(9-12)17-16(19)15-10-14(11-23-15)24(20,21)18-5-7-22-8-6-18/h2-4,9-11H,5-8H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=71.6756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.8405  SlogP: 2.32972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058359  Sterimol/B1: 2.29059  Sterimol/B2: 3.63675  Sterimol/B3: 4.85917
  Sterimol/B4: 5.57316  Sterimol/L: 17.8543 
 
 Surface and Volume Properties
  Accessible surface: 589.226  Positive charged surface: 344.001  Negative charged surface: 245.226  Volume: 319.125
  Hydrophobic surface: 480.979  Hydrophilic surface: 108.247
 
 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.