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ENAMINE-ZINC03562499

 MMsINC code: MMs01509734
Type: Neutral
Formula: C18H14FN3O3S2
SMILES:   s1c(nnc1SCc1ccc(cc1)C(OC)=O)NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C18H14FN3O3S2/c1-25-16(24)13-4-2-11(3-5-13)10-26-18-22-21-17(27-18)20-15(23)12-6-8-14(19)9-7-12/h2-9H,10H2,1H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=77.8198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.458 g/mol  logS: -7.36083  SlogP: 4.2748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187389  Sterimol/B1: 2.75559  Sterimol/B2: 3.79973  Sterimol/B3: 4.12823
  Sterimol/B4: 4.54569  Sterimol/L: 24.0181 
 
 Surface and Volume Properties
  Accessible surface: 662.16  Positive charged surface: 339.364  Negative charged surface: 322.796  Volume: 343.75
  Hydrophobic surface: 488.501  Hydrophilic surface: 173.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.