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ASINEX-ZINC00470768

 MMsINC code: MMs00136480
Type: Neutral
Formula: C14H20N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)N1CCCC1)C)c1ccc(OC)cc1
InChI:   InChI=1/C14H20N2O4S/c1-15(11-14(17)16-9-3-4-10-16)21(18,19)13-7-5-12(20-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=55.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.39 g/mol  logS: -1.96778  SlogP: 0.9381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056981  Sterimol/B1: 2.32219  Sterimol/B2: 2.37845  Sterimol/B3: 5.08851
  Sterimol/B4: 6.75956  Sterimol/L: 17.3071 
 
 Surface and Volume Properties
  Accessible surface: 550.647  Positive charged surface: 393.938  Negative charged surface: 156.709  Volume: 288.5
  Hydrophobic surface: 461.78  Hydrophilic surface: 88.867
 
 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.