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ASINEX-ZINC04082480

 MMsINC code: MMs00302171
Type: Neutral
Formula: C14H14FN5O2S2
SMILES:   S(=O)(=O)(NC(N)=N)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
InChI:   InChI=1/C14H14FN5O2S2/c15-9-1-3-10(4-2-9)18-14(23)19-11-5-7-12(8-6-11)24(21,22)20-13(16)17/h1-8H,(H4,16,17,20)(H2,18,19,23)

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Potential Energy
Epot(MMFF94)=57.3999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.429 g/mol  logS: -5.33682  SlogP: 1.80637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582848  Sterimol/B1: 3.12833  Sterimol/B2: 4.04853  Sterimol/B3: 4.13313
  Sterimol/B4: 4.22193  Sterimol/L: 17.7476 
 
 Surface and Volume Properties
  Accessible surface: 566.614  Positive charged surface: 286.214  Negative charged surface: 280.401  Volume: 298.625
  Hydrophobic surface: 294.242  Hydrophilic surface: 272.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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.