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CHEMBLOCK-ZINC04626134

 MMsINC code: MMs00566120
Type: Neutral
Formula: C19H14FN5O
SMILES:   Fc1ccc(NC(=O)Nc2cc(ccc2)-c2nc3n(c2)C=CC=N3)cc1
InChI:   InChI=1/C19H14FN5O/c20-14-5-7-15(8-6-14)22-19(26)23-16-4-1-3-13(11-16)17-12-25-10-2-9-21-18(25)24-17/h1-12H,(H2,22,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.353 g/mol  logS: -5.62043  SlogP: 4.5198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291432  Sterimol/B1: 2.46352  Sterimol/B2: 3.10534  Sterimol/B3: 3.58875
  Sterimol/B4: 9.9081  Sterimol/L: 16.7923 
 
 Surface and Volume Properties
  Accessible surface: 597.374  Positive charged surface: 333.993  Negative charged surface: 263.38  Volume: 314.375
  Hydrophobic surface: 449.787  Hydrophilic surface: 147.587
 
 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.