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CHEMBRIDGE-ZINC01162375

 MMsINC code: MMs00676426
Type: Neutral
Formula: C19H16F4N2O2
SMILES:   Fc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1cc(CC)c(OC)cc1O
InChI:   InChI=1/C19H16F4N2O2/c1-3-10-8-13(14(26)9-15(10)27-2)17-16(11-4-6-12(20)7-5-11)18(25-24-17)19(21,22)23/h4-9,26H,3H2,1-2H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=81.4872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.341 g/mol  logS: -6.51105  SlogP: 5.48967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181439  Sterimol/B1: 2.20184  Sterimol/B2: 4.01321  Sterimol/B3: 6.94276
  Sterimol/B4: 7.03869  Sterimol/L: 14.5936 
 
 Surface and Volume Properties
  Accessible surface: 575.484  Positive charged surface: 327.892  Negative charged surface: 247.592  Volume: 323.5
  Hydrophobic surface: 361.743  Hydrophilic surface: 213.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.