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CHEMBRIDGE-ZINC00954980

 MMsINC code: MMs00648297
Type: Neutral
Formula: C26H20F3NO5
SMILES:   FC(F)(F)C=1Oc2c(ccc(OCC(=O)NCc3ccccc3)c2)C(=O)C=1c1ccccc1OC
InChI:   InChI=1/C26H20F3NO5/c1-33-20-10-6-5-9-18(20)23-24(32)19-12-11-17(13-21(19)35-25(23)26(27,28)29)34-15-22(31)30-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.442 g/mol  logS: -7.6823  SlogP: 5.6254  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0433675  Sterimol/B1: 2.2447  Sterimol/B2: 2.33335  Sterimol/B3: 6.07938
  Sterimol/B4: 7.25881  Sterimol/L: 23.1974 
 
 Surface and Volume Properties
  Accessible surface: 760.099  Positive charged surface: 423.52  Negative charged surface: 336.579  Volume: 416.5
  Hydrophobic surface: 581.176  Hydrophilic surface: 178.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.