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ENAMINE-ZINC03256506

 MMsINC code: MMs01333808
Type: Neutral
Formula: C25H24F3N3O3
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)Nc2ccccc2C(CC)C)=O)ccc1
InChI:   InChI=1/C25H24F3N3O3/c1-3-16(2)19-10-4-5-12-21(19)31-22(32)15-34-24(33)20-11-7-13-29-23(20)30-18-9-6-8-17(14-18)25(26,27)28/h4-14,16H,3,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.479 g/mol  logS: -7.19916  SlogP: 6.4645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235503  Sterimol/B1: 2.36418  Sterimol/B2: 2.77693  Sterimol/B3: 4.34068
  Sterimol/B4: 10.0324  Sterimol/L: 20.0924 
 
 Surface and Volume Properties
  Accessible surface: 769.704  Positive charged surface: 427.293  Negative charged surface: 342.411  Volume: 423.875
  Hydrophobic surface: 543.266  Hydrophilic surface: 226.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.