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ASINEX-ZINC00612880

 MMsINC code: MMs00140811
Type: Neutral
Formula: C14H12FN3S2
SMILES:   s1c(-c2nc(sc2)Nc2ccccc2F)c(nc1C)C
InChI:   InChI=1/C14H12FN3S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=66.3427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.401 g/mol  logS: -4.31084  SlogP: 4.76614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214501  Sterimol/B1: 2.35083  Sterimol/B2: 2.55485  Sterimol/B3: 3.17361
  Sterimol/B4: 6.25118  Sterimol/L: 16.9961 
 
 Surface and Volume Properties
  Accessible surface: 515.46  Positive charged surface: 271.773  Negative charged surface: 243.687  Volume: 265.875
  Hydrophobic surface: 464.788  Hydrophilic surface: 50.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.