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PUBCHEM-ZINC05963224

 MMsINC code: MMs03463575
Type: Neutral
Formula: C19H25F3N2O4
SMILES:   FC(F)(F)C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)C(C)C)C(C)C
InChI:   InChI=1/C19H25F3N2O4/c1-11(2)14(16(25)19(20,21)22)23-17(26)15(12(3)4)24-18(27)28-10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,10H2,1-4H3,(H,23,26)(H,24,27)/t14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.9988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.413 g/mol  logS: -4.65624  SlogP: 3.8959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574202  Sterimol/B1: 2.26367  Sterimol/B2: 3.75902  Sterimol/B3: 5.61782
  Sterimol/B4: 6.5221  Sterimol/L: 18.7418 
 
 Surface and Volume Properties
  Accessible surface: 650.005  Positive charged surface: 351.226  Negative charged surface: 298.779  Volume: 360.75
  Hydrophobic surface: 392.576  Hydrophilic surface: 257.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.