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PUBCHEM-ZINC03106792

 MMsINC code: MMs02994924
Type: Neutral
Formula: C14H12N2O5S
SMILES:   S(=O)(=O)(N=C1C=CC(=O)C=C1)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C14H12N2O5S/c1-21-14(18)15-10-4-8-13(9-5-10)22(19,20)16-11-2-6-12(17)7-3-11/h2-9H,1H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=44.0295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.325 g/mol  logS: -3.83435  SlogP: 1.6897  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0520838  Sterimol/B1: 2.45014  Sterimol/B2: 3.66804  Sterimol/B3: 4.04192
  Sterimol/B4: 5.07605  Sterimol/L: 19.2137 
 
 Surface and Volume Properties
  Accessible surface: 543.724  Positive charged surface: 291.939  Negative charged surface: 251.786  Volume: 269.125
  Hydrophobic surface: 361.217  Hydrophilic surface: 182.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.