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CHEMBLOCK-ZINC03079805

 MMsINC code: MMs00535269
Type: Neutral
Formula: C24H19FN4O2
SMILES:   Fc1ccc(OCC(=O)N\N=C\c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
InChI:   InChI=1/C24H19FN4O2/c25-20-11-13-22(14-12-20)31-17-23(30)27-26-15-19-16-29(21-9-5-2-6-10-21)28-24(19)18-7-3-1-4-8-18/h1-16H,17H2,(H,27,30)/b26-15+

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Potential Energy
Epot(MMFF94)=137.443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.44 g/mol  logS: -6.45904  SlogP: 4.2075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00961149  Sterimol/B1: 2.41712  Sterimol/B2: 2.96834  Sterimol/B3: 3.07644
  Sterimol/B4: 8.77888  Sterimol/L: 22.6745 
 
 Surface and Volume Properties
  Accessible surface: 709.385  Positive charged surface: 387.671  Negative charged surface: 321.714  Volume: 391.5
  Hydrophobic surface: 612.745  Hydrophilic surface: 96.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.