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MAYBRIDGE-ZINC01035339

 MMsINC code: MMs02151266
Type: Neutral
Formula: C18H14FN3S2
SMILES:   s1c2c(ncnc2SCc2ccc(F)cc2)c2c1nc(cc2C)C
InChI:   InChI=1/C18H14FN3S2/c1-10-7-11(2)22-17-14(10)15-16(24-17)18(21-9-20-15)23-8-12-3-5-13(19)6-4-12/h3-7,9H,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=59.6988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.461 g/mol  logS: -7.29286  SlogP: 5.55414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323669  Sterimol/B1: 3.05229  Sterimol/B2: 3.61884  Sterimol/B3: 3.62007
  Sterimol/B4: 7.07632  Sterimol/L: 18.5695 
 
 Surface and Volume Properties
  Accessible surface: 589.337  Positive charged surface: 335.241  Negative charged surface: 248.811  Volume: 318.875
  Hydrophobic surface: 483.506  Hydrophilic surface: 105.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.