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PUBCHEM-ZINC03256499

 MMsINC code: MMs03009840
Type: Neutral
Formula: C23H18F3N3O5
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)Nc2cc3OCCOc3cc2)=O)ccc1
InChI:   InChI=1/C23H18F3N3O5/c24-23(25,26)14-3-1-4-15(11-14)29-21-17(5-2-8-27-21)22(31)34-13-20(30)28-16-6-7-18-19(12-16)33-10-9-32-18/h1-8,11-12H,9-10,13H2,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.407 g/mol  logS: -5.74263  SlogP: 4.7222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122987  Sterimol/B1: 2.71403  Sterimol/B2: 3.7673  Sterimol/B3: 5.72286
  Sterimol/B4: 6.05063  Sterimol/L: 22.7722 
 
 Surface and Volume Properties
  Accessible surface: 735.961  Positive charged surface: 432.214  Negative charged surface: 303.746  Volume: 393.875
  Hydrophobic surface: 516.99  Hydrophilic surface: 218.971
 
 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.