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ASINEX-ZINC01353247

 MMsINC code: MMs00243369
Type: Neutral
Formula: C24H21FN4O2
SMILES:   Fc1ccc(NC(=O)N(CC2=Cc3cc(ccc3NC2=O)C)Cc2cccnc2)cc1
InChI:   InChI=1/C24H21FN4O2/c1-16-4-9-22-18(11-16)12-19(23(30)28-22)15-29(14-17-3-2-10-26-13-17)24(31)27-21-7-5-20(25)6-8-21/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)=69.0648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.456 g/mol  logS: -5.2351  SlogP: 4.86532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804297  Sterimol/B1: 3.0908  Sterimol/B2: 4.48705  Sterimol/B3: 5.8492
  Sterimol/B4: 7.78734  Sterimol/L: 16.78 
 
 Surface and Volume Properties
  Accessible surface: 681.537  Positive charged surface: 410.933  Negative charged surface: 270.604  Volume: 390.875
  Hydrophobic surface: 581.643  Hydrophilic surface: 99.894
 
 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.