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ASINEX-ZINC01378259

 MMsINC code: MMs00251588
Type: Neutral
Formula: C24H21FN4O2
SMILES:   Fc1ccc(NC(=O)N(CC2=Cc3c(NC2=O)c(ccc3)C)Cc2cccnc2)cc1
InChI:   InChI=1/C24H21FN4O2/c1-16-4-2-6-18-12-19(23(30)28-22(16)18)15-29(14-17-5-3-11-26-13-17)24(31)27-21-9-7-20(25)8-10-21/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.5834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.456 g/mol  logS: -4.92165  SlogP: 4.86532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932481  Sterimol/B1: 2.70433  Sterimol/B2: 5.12266  Sterimol/B3: 5.71866
  Sterimol/B4: 7.72627  Sterimol/L: 15.5754 
 
 Surface and Volume Properties
  Accessible surface: 667.73  Positive charged surface: 402.529  Negative charged surface: 265.201  Volume: 388.875
  Hydrophobic surface: 578.406  Hydrophilic surface: 89.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.