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PUBCHEM-ZINC03255763

 MMsINC code: MMs03009803
Type: Neutral
Formula: C23H20F3N3O5
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)Nc2cc(OC)c(OC)cc2)=O)ccc1
InChI:   InChI=1/C23H20F3N3O5/c1-32-18-9-8-16(12-19(18)33-2)28-20(30)13-34-22(31)17-7-4-10-27-21(17)29-15-6-3-5-14(11-15)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.423 g/mol  logS: -5.59379  SlogP: 4.9682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351124  Sterimol/B1: 2.51246  Sterimol/B2: 4.57811  Sterimol/B3: 5.77359
  Sterimol/B4: 7.19109  Sterimol/L: 21.9621 
 
 Surface and Volume Properties
  Accessible surface: 764.485  Positive charged surface: 472.192  Negative charged surface: 292.292  Volume: 405.75
  Hydrophobic surface: 548.557  Hydrophilic surface: 215.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.