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PUBCHEM-ZINC06883260

 MMsINC code: MMs03887327
Type: Neutral
Formula: C13H13FN2O4S
SMILES:   S(CC(N)C(O)=O)C1CC(=O)N(C1=O)c1ccc(F)cc1
InChI:   InChI=1/C13H13FN2O4S/c14-7-1-3-8(4-2-7)16-11(17)5-10(12(16)18)21-6-9(15)13(19)20/h1-4,9-10H,5-6,15H2,(H,19,20)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=69.9701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.321 g/mol  logS: -2.87311  SlogP: 0.6027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11409  Sterimol/B1: 2.43688  Sterimol/B2: 3.79857  Sterimol/B3: 5.06178
  Sterimol/B4: 5.56748  Sterimol/L: 15.0961 
 
 Surface and Volume Properties
  Accessible surface: 517.593  Positive charged surface: 275.949  Negative charged surface: 241.644  Volume: 259.125
  Hydrophobic surface: 287.114  Hydrophilic surface: 230.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.