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CHEMBLOCK-ZINC01427031

 MMsINC code: MMs00521551
Type: Neutral
Formula: C18H16FN3O
SMILES:   Fc1cc(-n2nc(cc2NC(=O)c2cc(ccc2)C)C)ccc1
InChI:   InChI=1/C18H16FN3O/c1-12-5-3-6-14(9-12)18(23)20-17-10-13(2)21-22(17)16-8-4-7-15(19)11-16/h3-11H,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=101.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.344 g/mol  logS: -4.90233  SlogP: 3.88054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216493  Sterimol/B1: 2.61859  Sterimol/B2: 2.93647  Sterimol/B3: 5.60267
  Sterimol/B4: 6.70586  Sterimol/L: 15.0673 
 
 Surface and Volume Properties
  Accessible surface: 560.463  Positive charged surface: 283.867  Negative charged surface: 276.597  Volume: 295.5
  Hydrophobic surface: 519.773  Hydrophilic surface: 40.69
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.