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PUBCHEM-ZINC01552372

 MMsINC code: MMs02814277
Type: Neutral
Formula: C15H18N2O4S
SMILES:   S(C=1N(COCCO)C(=O)NC(=O)C=1CC)c1ccccc1
InChI:   InChI=1/C15H18N2O4S/c1-2-12-13(19)16-15(20)17(10-21-9-8-18)14(12)22-11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,16,19,20)

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Potential Energy
Epot(MMFF94)=31.4562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.385 g/mol  logS: -3.65533  SlogP: 1.9185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.332914  Sterimol/B1: 2.29618  Sterimol/B2: 2.29837  Sterimol/B3: 6.73936
  Sterimol/B4: 8.54787  Sterimol/L: 13.6178 
 
 Surface and Volume Properties
  Accessible surface: 537.086  Positive charged surface: 337.169  Negative charged surface: 199.917  Volume: 290.75
  Hydrophobic surface: 333.967  Hydrophilic surface: 203.119
 
 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.