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CHEMBRIDGE-ZINC00143370

 MMsINC code: MMs00591269
Type: Neutral
Formula: C15H14FN3OS
SMILES:   S=C(Nc1ccc(NC(=O)C)cc1)Nc1ccc(F)cc1
InChI:   InChI=1/C15H14FN3OS/c1-10(20)17-12-6-8-14(9-7-12)19-15(21)18-13-4-2-11(16)3-5-13/h2-9H,1H3,(H,17,20)(H2,18,19,21)

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Potential Energy
Epot(MMFF94)=128.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.361 g/mol  logS: -4.97312  SlogP: 3.593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339672  Sterimol/B1: 2.92541  Sterimol/B2: 2.95258  Sterimol/B3: 3.38948
  Sterimol/B4: 4.5875  Sterimol/L: 18.0764 
 
 Surface and Volume Properties
  Accessible surface: 531.498  Positive charged surface: 294.534  Negative charged surface: 236.965  Volume: 273.75
  Hydrophobic surface: 399.373  Hydrophilic surface: 132.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.