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MAYBRIDGE-ZINC01043013

 MMsINC code: MMs02154913
Type: Neutral
Formula: C22H14F5N3O5
SMILES:   Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Oc2ncc(C(OC)=O)c(c2)C(F)(F)F)c
c1
InChI:   InChI=1/C22H14F5N3O5/c1-34-20(32)13-10-28-17(9-14(13)22(25,26)27)35-12-7-5-11(6-8-12)29-21(33)30-19(31)18-15(23)3-2-4-16(18)24/h2-10H,1H3,(H2,29,30,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 495.36 g/mol  logS: -6.44747  SlogP: 5.2309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224342  Sterimol/B1: 2.47952  Sterimol/B2: 3.47828  Sterimol/B3: 4.11454
  Sterimol/B4: 8.00278  Sterimol/L: 21.7717 
 
 Surface and Volume Properties
  Accessible surface: 735.15  Positive charged surface: 388.97  Negative charged surface: 346.181  Volume: 385.875
  Hydrophobic surface: 521.206  Hydrophilic surface: 213.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.