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CHEMBLOCK-ZINC00109626

 MMsINC code: MMs00499144
Type: Neutral
Formula: C19H16FN3O2
SMILES:   Fc1ccc(Nc2ncccc2C(=O)Nc2ccc(OC)cc2)cc1
InChI:   InChI=1/C19H16FN3O2/c1-25-16-10-8-15(9-11-16)23-19(24)17-3-2-12-21-18(17)22-14-6-4-13(20)5-7-14/h2-12H,1H3,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.354 g/mol  logS: -4.37367  SlogP: 4.2252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036075  Sterimol/B1: 2.48681  Sterimol/B2: 3.41245  Sterimol/B3: 4.10149
  Sterimol/B4: 8.30542  Sterimol/L: 17.4211 
 
 Surface and Volume Properties
  Accessible surface: 589.53  Positive charged surface: 365.729  Negative charged surface: 223.801  Volume: 311.75
  Hydrophobic surface: 532.905  Hydrophilic surface: 56.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.