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CHEMBLOCK-ZINC04618880

 MMsINC code: MMs00562468
Type: Neutral
Formula: C24H19FN4O2
SMILES:   Fc1ccccc1NC(=O)c1cnn(c1NC(=O)c1ccc(cc1)C)-c1ccccc1
InChI:   InChI=1/C24H19FN4O2/c1-16-11-13-17(14-12-16)23(30)28-22-19(15-26-29(22)18-7-3-2-4-8-18)24(31)27-21-10-6-5-9-20(21)25/h2-15H,1H3,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=156.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.44 g/mol  logS: -6.55893  SlogP: 4.82442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0348244  Sterimol/B1: 2.28795  Sterimol/B2: 2.90751  Sterimol/B3: 3.33687
  Sterimol/B4: 11.5022  Sterimol/L: 16.6586 
 
 Surface and Volume Properties
  Accessible surface: 671.034  Positive charged surface: 368.451  Negative charged surface: 302.583  Volume: 385
  Hydrophobic surface: 607.453  Hydrophilic surface: 63.581
 
 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.