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MAYBRIDGE-ZINC00071872

 MMsINC code: MMs02127480
Type: Neutral
Formula: C11H13FN2S
SMILES:   S\1CC(N/C/1=N\c1ccccc1F)(C)C
InChI:   InChI=1/C11H13FN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=49.5075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.303 g/mol  logS: -3.82782  SlogP: 2.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755917  Sterimol/B1: 2.10849  Sterimol/B2: 3.38892  Sterimol/B3: 4.48726
  Sterimol/B4: 4.73328  Sterimol/L: 12.847 
 
 Surface and Volume Properties
  Accessible surface: 424.76  Positive charged surface: 252.946  Negative charged surface: 171.814  Volume: 208.875
  Hydrophobic surface: 324.297  Hydrophilic surface: 100.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.