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ASINEX-ZINC00156547

 MMsINC code: MMs00083143
Type: Neutral
Formula: C13H14N2O5S
SMILES:   S1(=O)(=O)N(CC(=O)N2CCOCC2)C(=O)c2c1cccc2
InChI:   InChI=1/C13H14N2O5S/c16-12(14-5-7-20-8-6-14)9-15-13(17)10-3-1-2-4-11(10)21(15,18)19/h1-4H,5-9H2

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Potential Energy
Epot(MMFF94)=53.8576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.33 g/mol  logS: -2.18453  SlogP: -0.3101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869143  Sterimol/B1: 2.88934  Sterimol/B2: 3.44412  Sterimol/B3: 3.53739
  Sterimol/B4: 5.31439  Sterimol/L: 15.1974 
 
 Surface and Volume Properties
  Accessible surface: 502.916  Positive charged surface: 306.234  Negative charged surface: 196.681  Volume: 258.25
  Hydrophobic surface: 361.268  Hydrophilic surface: 141.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.