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ASINEX-ZINC00922360

 MMsINC code: MMs00221845
Type: Neutral
Formula: C17H15FN6O2
SMILES:   Fc1ccccc1-c1nn(nn1)CC(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C17H15FN6O2/c1-11(25)19-12-6-8-13(9-7-12)20-16(26)10-24-22-17(21-23-24)14-4-2-3-5-15(14)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.6609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.345 g/mol  logS: -4.41599  SlogP: 2.3427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532692  Sterimol/B1: 2.29422  Sterimol/B2: 3.74059  Sterimol/B3: 3.76402
  Sterimol/B4: 7.42916  Sterimol/L: 19.1459 
 
 Surface and Volume Properties
  Accessible surface: 611.257  Positive charged surface: 346.718  Negative charged surface: 264.539  Volume: 311
  Hydrophobic surface: 457.61  Hydrophilic surface: 153.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.