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ASINEX-ZINC04867173

 MMsINC code: MMs00390250
Type: Neutral
Formula: C15H13FN2O4S
SMILES:   S(=O)(=O)(\N=C(\NCC(O)=O)/c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C15H13FN2O4S/c16-12-8-6-11(7-9-12)15(17-10-14(19)20)18-23(21,22)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=64.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.343 g/mol  logS: -3.96355  SlogP: 1.6354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138512  Sterimol/B1: 3.59663  Sterimol/B2: 3.69875  Sterimol/B3: 5.55115
  Sterimol/B4: 7.58729  Sterimol/L: 13.564 
 
 Surface and Volume Properties
  Accessible surface: 549.3  Positive charged surface: 288.994  Negative charged surface: 260.306  Volume: 281.625
  Hydrophobic surface: 390.702  Hydrophilic surface: 158.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00390251
ASINEX-ZINC04867173