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ENAMINE-ZINC03307987

 MMsINC code: MMs01362244
Type: Neutral
Formula: C25H21F3N2O4
SMILES:   FC(F)(F)c1ccc(cc1)-c1ccccc1C(OC(C(=O)Nc1ccc(NC(=O)C)cc1)C)=O
InChI:   InChI=1/C25H21F3N2O4/c1-15(23(32)30-20-13-11-19(12-14-20)29-16(2)31)34-24(33)22-6-4-3-5-21(22)17-7-9-18(10-8-17)25(26,27)28/h3-15H,1-2H3,(H,29,31)(H,30,32)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.447 g/mol  logS: -7.78263  SlogP: 5.8263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244468  Sterimol/B1: 2.4002  Sterimol/B2: 4.47463  Sterimol/B3: 4.52989
  Sterimol/B4: 8.18059  Sterimol/L: 21.5424 
 
 Surface and Volume Properties
  Accessible surface: 745.017  Positive charged surface: 372.274  Negative charged surface: 369.482  Volume: 414
  Hydrophobic surface: 515.74  Hydrophilic surface: 229.277
 
 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.