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PUBCHEM-ZINC02872266

 MMsINC code: MMs02949245
Type: Neutral
Formula: C15H22N2O5S
SMILES:   S(=O)(=O)(NC(C)C)c1ccc(NC(=O)CCC(OCC)=O)cc1
InChI:   InChI=1/C15H22N2O5S/c1-4-22-15(19)10-9-14(18)16-12-5-7-13(8-6-12)23(20,21)17-11(2)3/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=24.1944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.416 g/mol  logS: -2.57859  SlogP: 1.6551  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0305912  Sterimol/B1: 3.17715  Sterimol/B2: 4.22968  Sterimol/B3: 4.35355
  Sterimol/B4: 4.38096  Sterimol/L: 21.093 
 
 Surface and Volume Properties
  Accessible surface: 615.836  Positive charged surface: 395.629  Negative charged surface: 220.207  Volume: 313.75
  Hydrophobic surface: 388.462  Hydrophilic surface: 227.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.