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PUBCHEM-ZINC02191127

 MMsINC code: MMs02883707
Type: Neutral
Formula: C14H20N2O5S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(NC(=O)C(OCC)=O)cc1
InChI:   InChI=1/C14H20N2O5S/c1-4-16(5-2)22(19,20)12-9-7-11(8-10-12)15-13(17)14(18)21-6-3/h7-10H,4-6H2,1-3H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=56.5135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.389 g/mol  logS: -2.89033  SlogP: 1.2187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493372  Sterimol/B1: 2.56225  Sterimol/B2: 3.13481  Sterimol/B3: 4.62124
  Sterimol/B4: 6.84392  Sterimol/L: 18.2525 
 
 Surface and Volume Properties
  Accessible surface: 568.748  Positive charged surface: 352.385  Negative charged surface: 216.363  Volume: 296.125
  Hydrophobic surface: 355.369  Hydrophilic surface: 213.379
 
 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.