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ASINEX-ZINC01353252

 MMsINC code: MMs00243370
Type: Neutral
Formula: C24H21FN4O2
SMILES:   Fc1ccccc1NC(=O)N(CC1=Cc2cc(ccc2NC1=O)C)Cc1cccnc1
InChI:   InChI=1/C24H21FN4O2/c1-16-8-9-21-18(11-16)12-19(23(30)27-21)15-29(14-17-5-4-10-26-13-17)24(31)28-22-7-3-2-6-20(22)25/h2-13H,14-15H2,1H3,(H,27,30)(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6477 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: 0.0808457  Sterimol/B1: 3.13456  Sterimol/B2: 4.65633  Sterimol/B3: 5.59928
  Sterimol/B4: 7.75706  Sterimol/L: 16.7899 
 
 Surface and Volume Properties
  Accessible surface: 669.908  Positive charged surface: 405.03  Negative charged surface: 264.878  Volume: 389.75
  Hydrophobic surface: 575.183  Hydrophilic surface: 94.725
 
 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.