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ASINEX-ZINC00916272

 MMsINC code: MMs00218588
Type: Neutral
Formula: C18H22N2O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C18H22N2O4S/c1-23-16-5-3-15(4-6-16)19-11-13-20(14-12-19)25(21,22)18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=145.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.45 g/mol  logS: -3.26979  SlogP: 2.2147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428449  Sterimol/B1: 2.47416  Sterimol/B2: 3.35266  Sterimol/B3: 4.49595
  Sterimol/B4: 4.80377  Sterimol/L: 20.6696 
 
 Surface and Volume Properties
  Accessible surface: 603.364  Positive charged surface: 420.06  Negative charged surface: 183.304  Volume: 334.25
  Hydrophobic surface: 517.914  Hydrophilic surface: 85.45
 
 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.