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CHEMBRIDGE-ZINC00706777

 MMsINC code: MMs00641241
Type: Neutral
Formula: C19H17F3N2O2
SMILES:   FC(F)(F)c1[nH]nc(c1-c1ccccc1)-c1cc(CC)c(OC)cc1O
InChI:   InChI=1/C19H17F3N2O2/c1-3-11-9-13(14(25)10-15(11)26-2)17-16(12-7-5-4-6-8-12)18(24-23-17)19(20,21)22/h4-10,25H,3H2,1-2H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=82.1943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.351 g/mol  logS: -6.21607  SlogP: 5.35057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180541  Sterimol/B1: 2.20394  Sterimol/B2: 3.72861  Sterimol/B3: 6.94943
  Sterimol/B4: 7.05496  Sterimol/L: 14.6013 
 
 Surface and Volume Properties
  Accessible surface: 571.026  Positive charged surface: 341.278  Negative charged surface: 229.747  Volume: 321.625
  Hydrophobic surface: 357.004  Hydrophilic surface: 214.022
 
 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.