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ENAMINE-ZINC06847657

 MMsINC code: MMs01704532
Type: Neutral
Formula: C15H9FN6OS
SMILES:   s1c2cc(F)ccc2nc1NC(=O)c1cc(-n2nnnc2)ccc1
InChI:   InChI=1/C15H9FN6OS/c16-10-4-5-12-13(7-10)24-15(18-12)19-14(23)9-2-1-3-11(6-9)22-8-17-20-21-22/h1-8H,(H,18,19,23)

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Potential Energy
Epot(MMFF94)=70.95 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.342 g/mol  logS: -4.60515  SlogP: 2.6634  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.66084e-07  Sterimol/B1: 2.17556  Sterimol/B2: 2.19444  Sterimol/B3: 2.54442
  Sterimol/B4: 6.83864  Sterimol/L: 18.1168 
 
 Surface and Volume Properties
  Accessible surface: 535.536  Positive charged surface: 224.974  Negative charged surface: 277.468  Volume: 280.75
  Hydrophobic surface: 411.213  Hydrophilic surface: 124.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.