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ENAMINE-ZINC03255801

 MMsINC code: MMs01333403
Type: Neutral
Formula: C25H24F3N3O3
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)Nc2ccc(cc2)CCCC)=O)ccc1
InChI:   InChI=1/C25H24F3N3O3/c1-2-3-6-17-10-12-19(13-11-17)30-22(32)16-34-24(33)21-9-5-14-29-23(21)31-20-8-4-7-18(15-20)25(26,27)28/h4-5,7-15H,2-3,6,16H2,1H3,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.479 g/mol  logS: -7.51261  SlogP: 6.29357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245143  Sterimol/B1: 2.4396  Sterimol/B2: 4.5029  Sterimol/B3: 5.85872
  Sterimol/B4: 7.46049  Sterimol/L: 24.6791 
 
 Surface and Volume Properties
  Accessible surface: 791.292  Positive charged surface: 457.327  Negative charged surface: 333.966  Volume: 426.5
  Hydrophobic surface: 570.448  Hydrophilic surface: 220.844
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.