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ENAMINE-ZINC05824529

 MMsINC code: MMs01641088
Type: Neutral
Formula: C19H18F3N3O4
SMILES:   Fc1c(F)c(F)ccc1NC(=O)CNC(=O)CNC(=O)c1ccccc1OCC
InChI:   InChI=1/C19H18F3N3O4/c1-2-29-14-6-4-3-5-11(14)19(28)24-9-15(26)23-10-16(27)25-13-8-7-12(20)17(21)18(13)22/h3-8H,2,9-10H2,1H3,(H,23,26)(H,24,28)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.364 g/mol  logS: -4.96254  SlogP: 1.9873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00843814  Sterimol/B1: 1.969  Sterimol/B2: 2.56583  Sterimol/B3: 2.94113
  Sterimol/B4: 8.78478  Sterimol/L: 20.86 
 
 Surface and Volume Properties
  Accessible surface: 679.77  Positive charged surface: 398.045  Negative charged surface: 281.725  Volume: 348.375
  Hydrophobic surface: 518.104  Hydrophilic surface: 161.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.