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APOLLO-ZINC04293528

 MMsINC code: MMs00058764
Type: Neutral
Formula: C10H9FN2S
SMILES:   s1c(cnc1N)-c1cc(C)c(F)cc1
InChI:   InChI=1/C10H9FN2S/c1-6-4-7(2-3-8(6)11)9-5-13-10(12)14-9/h2-5H,1H3,(H2,12,13)

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Potential Energy
Epot(MMFF94)=26.2189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.26 g/mol  logS: -3.42776  SlogP: 2.83982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00736741  Sterimol/B1: 2.18011  Sterimol/B2: 2.30281  Sterimol/B3: 2.51202
  Sterimol/B4: 6.07716  Sterimol/L: 12.7888 
 
 Surface and Volume Properties
  Accessible surface: 396.046  Positive charged surface: 219.854  Negative charged surface: 176.192  Volume: 185.125
  Hydrophobic surface: 298.019  Hydrophilic surface: 98.027
 
 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.