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PUBCHEM-ZINC06581721

 MMsINC code: MMs03807749
Type: Neutral
Formula: C13H13FN2O4S
SMILES:   S(C=1N(COCCO)C(=O)NC(=O)C=1F)c1ccccc1
InChI:   InChI=1/C13H13FN2O4S/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)

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Potential Energy
Epot(MMFF94)=35.6011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.321 g/mol  logS: -3.5124  SlogP: 1.5444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183703  Sterimol/B1: 3.13239  Sterimol/B2: 3.73788  Sterimol/B3: 4.91489
  Sterimol/B4: 7.00225  Sterimol/L: 13.141 
 
 Surface and Volume Properties
  Accessible surface: 499.608  Positive charged surface: 286.64  Negative charged surface: 212.968  Volume: 259.75
  Hydrophobic surface: 302.846  Hydrophilic surface: 196.762
 
 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.