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COMGENEX-ZINC06689556

 MMsINC code: MMs01184688
Type: Neutral
Formula: C24H25F2N3O
SMILES:   Fc1ccccc1C(=O)N(Cc1nccn1Cc1cc(F)ccc1)C1CCCCC1
InChI:   InChI=1/C24H25F2N3O/c25-19-8-6-7-18(15-19)16-28-14-13-27-23(28)17-29(20-9-2-1-3-10-20)24(30)21-11-4-5-12-22(21)26/h4-8,11-15,20H,1-3,9-10,16-17H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=345.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.48 g/mol  logS: -5.35197  SlogP: 5.7175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166588  Sterimol/B1: 3.57696  Sterimol/B2: 5.15711  Sterimol/B3: 5.39418
  Sterimol/B4: 5.42854  Sterimol/L: 16.3747 
 
 Surface and Volume Properties
  Accessible surface: 616.46  Positive charged surface: 363.082  Negative charged surface: 253.378  Volume: 383
  Hydrophobic surface: 558.412  Hydrophilic surface: 58.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.