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PUBCHEM-ZINC06883259

 MMsINC code: MMs03887326
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+/m0/s1

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Potential Energy
Epot(MMFF94)=71.6678 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: 0.0840223  Sterimol/B1: 2.46442  Sterimol/B2: 4.33013  Sterimol/B3: 4.97785
  Sterimol/B4: 5.52648  Sterimol/L: 15.1144 
 
 Surface and Volume Properties
  Accessible surface: 519.734  Positive charged surface: 278.825  Negative charged surface: 240.909  Volume: 261.375
  Hydrophobic surface: 287.037  Hydrophilic surface: 232.697
 
 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.