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ENAMINE-ZINC06566649

 MMsINC code: MMs01675594
Type: Neutral
Formula: C19H15F2N3O2
SMILES:   FC(F)Oc1ccc(cc1)\C=N\N=C/1\c2c(N(CC=C)C\1=O)cccc2
InChI:   InChI=1/C19H15F2N3O2/c1-2-11-24-16-6-4-3-5-15(16)17(18(24)25)23-22-12-13-7-9-14(10-8-13)26-19(20)21/h2-10,12,19H,1,11H2/b22-12+,23-17+

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Potential Energy
Epot(MMFF94)=106.341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.344 g/mol  logS: -4.66712  SlogP: 4.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200607  Sterimol/B1: 2.47582  Sterimol/B2: 3.71071  Sterimol/B3: 3.7459
  Sterimol/B4: 6.92167  Sterimol/L: 18.2362 
 
 Surface and Volume Properties
  Accessible surface: 597.947  Positive charged surface: 314.077  Negative charged surface: 283.87  Volume: 321.625
  Hydrophobic surface: 371.148  Hydrophilic surface: 226.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.