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ENAMINE-ZINC03281345

 MMsINC code: MMs01348078
Type: Neutral
Formula: C24H20FN3O2
SMILES:   Fc1ccc(cc1)-c1nn(cc1C\N=C\c1cc(O)c(OC)cc1)-c1ccccc1
InChI:   InChI=1/C24H20FN3O2/c1-30-23-12-7-17(13-22(23)29)14-26-15-19-16-28(21-5-3-2-4-6-21)27-24(19)18-8-10-20(25)11-9-18/h2-14,16,29H,15H2,1H3/b26-14+

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Potential Energy
Epot(MMFF94)=116.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.441 g/mol  logS: -5.78616  SlogP: 5.2781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107953  Sterimol/B1: 2.24084  Sterimol/B2: 5.28518  Sterimol/B3: 6.54849
  Sterimol/B4: 8.55094  Sterimol/L: 17.7092 
 
 Surface and Volume Properties
  Accessible surface: 690.849  Positive charged surface: 406.661  Negative charged surface: 284.187  Volume: 381.875
  Hydrophobic surface: 580.844  Hydrophilic surface: 110.005
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.