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CHEMBRIDGE-ZINC00087396

 MMsINC code: MMs00587058
Type: Neutral
Formula: C15H10FN3S2
SMILES:   S1c2c(-n3c1nnc3SCc1ccccc1F)cccc2
InChI:   InChI=1/C15H10FN3S2/c16-11-6-2-1-5-10(11)9-20-14-17-18-15-19(14)12-7-3-4-8-13(12)21-15/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=64.2319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.396 g/mol  logS: -6.59306  SlogP: 4.4297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574371  Sterimol/B1: 2.42117  Sterimol/B2: 3.93802  Sterimol/B3: 5.06139
  Sterimol/B4: 6.04078  Sterimol/L: 15.5851 
 
 Surface and Volume Properties
  Accessible surface: 519.974  Positive charged surface: 226.05  Negative charged surface: 293.924  Volume: 269.875
  Hydrophobic surface: 424.181  Hydrophilic surface: 95.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.