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CHEMBLOCK-ZINC04751423

 MMsINC code: MMs00576687
Type: Neutral
Formula: C19H14F3N3O4
SMILES:   FC(F)(F)c1ccc(cc1)-c1nc(on1)C(=O)NCc1ccc(cc1)C(OC)=O
InChI:   InChI=1/C19H14F3N3O4/c1-28-18(27)13-4-2-11(3-5-13)10-23-16(26)17-24-15(25-29-17)12-6-8-14(9-7-12)19(20,21)22/h2-9H,10H2,1H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=104.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.332 g/mol  logS: -6.53604  SlogP: 4.0499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224804  Sterimol/B1: 2.33299  Sterimol/B2: 3.13069  Sterimol/B3: 4.31159
  Sterimol/B4: 6.62039  Sterimol/L: 22.2995 
 
 Surface and Volume Properties
  Accessible surface: 659.598  Positive charged surface: 328.941  Negative charged surface: 330.658  Volume: 335
  Hydrophobic surface: 401.623  Hydrophilic surface: 257.975
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.