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CHEMSTAR-ZINC04016056

 MMsINC code: MMs01087217
Type: Neutral
Formula: C10H7FN2OS
SMILES:   S1\C(=C/c2ccc(F)cc2)\C(=O)NC1=N
InChI:   InChI=1/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,(H2,12,13,14)/b8-5-

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Potential Energy
Epot(MMFF94)=35.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.243 g/mol  logS: -3.5864  SlogP: 1.96437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160625  Sterimol/B1: 2.25071  Sterimol/B2: 2.77148  Sterimol/B3: 3.00731
  Sterimol/B4: 5.24191  Sterimol/L: 12.2557 
 
 Surface and Volume Properties
  Accessible surface: 395.034  Positive charged surface: 187.12  Negative charged surface: 207.914  Volume: 185.375
  Hydrophobic surface: 217.903  Hydrophilic surface: 177.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.