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ENAMINE-ZINC04869259

 MMsINC code: MMs01560416
Type: Neutral
Formula: C20H21F3N2O2
SMILES:   FC(F)(F)c1cc(\N=C\c2cc(O)c(OC)cc2)c(N2CCCCC2)cc1
InChI:   InChI=1/C20H21F3N2O2/c1-27-19-8-5-14(11-18(19)26)13-24-16-12-15(20(21,22)23)6-7-17(16)25-9-3-2-4-10-25/h5-8,11-13,26H,2-4,9-10H2,1H3/b24-13+

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Potential Energy
Epot(MMFF94)=145.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.394 g/mol  logS: -4.73616  SlogP: 5.472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882928  Sterimol/B1: 2.62872  Sterimol/B2: 4.8401  Sterimol/B3: 5.04889
  Sterimol/B4: 8.04752  Sterimol/L: 15.5158 
 
 Surface and Volume Properties
  Accessible surface: 631.96  Positive charged surface: 398.018  Negative charged surface: 233.942  Volume: 341.125
  Hydrophobic surface: 450.921  Hydrophilic surface: 181.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.