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ASINEX-ZINC00797077

 MMsINC code: MMs00168188
Type: Neutral
Formula: C24H21FN6O2
SMILES:   Fc1ccc(cc1)C(=O)Nc1ccccc1-c1nn(nn1)CC(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C24H21FN6O2/c1-2-16-7-13-19(14-8-16)26-22(32)15-31-29-23(28-30-31)20-5-3-4-6-21(20)27-24(33)17-9-11-18(25)12-10-17/h3-14H,2,15H2,1H3,(H,26,32)(H,27,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.47 g/mol  logS: -7.16567  SlogP: 4.19897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751033  Sterimol/B1: 3.06327  Sterimol/B2: 4.75643  Sterimol/B3: 5.86905
  Sterimol/B4: 9.10519  Sterimol/L: 19.2855 
 
 Surface and Volume Properties
  Accessible surface: 753.638  Positive charged surface: 418.884  Negative charged surface: 334.754  Volume: 408.375
  Hydrophobic surface: 608.583  Hydrophilic surface: 145.055
 
 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.