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PUBCHEM-ZINC06482597

 MMsINC code: MMs03758971
Type: Neutral
Formula: C15H16N2O6S
SMILES:   S(C=1N(COCCO)C(=O)NC(=O)C=1C(OC)=O)c1ccccc1
InChI:   InChI=1/C15H16N2O6S/c1-22-14(20)11-12(19)16-15(21)17(9-23-8-7-18)13(11)24-10-5-3-2-4-6-10/h2-6,18H,7-9H2,1H3,(H,16,19,21)

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Potential Energy
Epot(MMFF94)=49.5019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.367 g/mol  logS: -3.54092  SlogP: 0.6815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314865  Sterimol/B1: 2.37532  Sterimol/B2: 2.59024  Sterimol/B3: 6.0607
  Sterimol/B4: 9.97603  Sterimol/L: 12.9541 
 
 Surface and Volume Properties
  Accessible surface: 559.691  Positive charged surface: 376.883  Negative charged surface: 182.809  Volume: 302.125
  Hydrophobic surface: 349.767  Hydrophilic surface: 209.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.