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IBS-ZINC01447372

 MMsINC code: MMs01767902
Type: Neutral
Formula: C17H10F4N2OS
SMILES:   S\1\C(=C\c2ccc(F)cc2)\C(=O)N/C/1=N\c1ccccc1C(F)(F)F
InChI:   InChI=1/C17H10F4N2OS/c18-11-7-5-10(6-8-11)9-14-15(24)23-16(25-14)22-13-4-2-1-3-12(13)17(19,20)21/h1-9H,(H,22,23,24)/b14-9-

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Potential Energy
Epot(MMFF94)=72.514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.338 g/mol  logS: -6.36082  SlogP: 5.0476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251168  Sterimol/B1: 2.88053  Sterimol/B2: 3.29848  Sterimol/B3: 3.83419
  Sterimol/B4: 5.37947  Sterimol/L: 16.8505 
 
 Surface and Volume Properties
  Accessible surface: 549.825  Positive charged surface: 212.656  Negative charged surface: 337.169  Volume: 292.625
  Hydrophobic surface: 357.196  Hydrophilic surface: 192.629
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.