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COMGENEX-ZINC06724556

 MMsINC code: MMs01195177
Type: Neutral
Formula: C24H24FN3O2
SMILES:   Fc1ccc(cc1)CC(=O)Nc1cc(C(=O)NCc2ccccc2)c(N(C)C)cc1
InChI:   InChI=1/C24H24FN3O2/c1-28(2)22-13-12-20(27-23(29)14-17-8-10-19(25)11-9-17)15-21(22)24(30)26-16-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3,(H,26,30)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.473 g/mol  logS: -5.55276  SlogP: 4.26927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725476  Sterimol/B1: 2.31489  Sterimol/B2: 2.72664  Sterimol/B3: 4.95639
  Sterimol/B4: 11.5451  Sterimol/L: 18.3351 
 
 Surface and Volume Properties
  Accessible surface: 722.787  Positive charged surface: 474.538  Negative charged surface: 248.249  Volume: 396.625
  Hydrophobic surface: 650.479  Hydrophilic surface: 72.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.