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ENAMINE-ZINC06847217

 MMsINC code: MMs01704189
Type: Neutral
Formula: C19H16F2N2O3
SMILES:   FC(F)Oc1ccc(cc1OC)CNC(=O)c1c2ncccc2ccc1
InChI:   InChI=1/C19H16F2N2O3/c1-25-16-10-12(7-8-15(16)26-19(20)21)11-23-18(24)14-6-2-4-13-5-3-9-22-17(13)14/h2-10,19H,11H2,1H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.344 g/mol  logS: -4.07208  SlogP: 4.4611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100824  Sterimol/B1: 2.11764  Sterimol/B2: 2.60343  Sterimol/B3: 5.67674
  Sterimol/B4: 7.2851  Sterimol/L: 18.0593 
 
 Surface and Volume Properties
  Accessible surface: 605.896  Positive charged surface: 376.21  Negative charged surface: 223.716  Volume: 316.125
  Hydrophobic surface: 455.472  Hydrophilic surface: 150.424
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.