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ASINEX-ZINC00907968

 MMsINC code: MMs00215715
Type: Neutral
Formula: C14H11FN4O
SMILES:   Fc1ccc(cc1)COc1cc(-n2nnnc2)ccc1
InChI:   InChI=1/C14H11FN4O/c15-12-6-4-11(5-7-12)9-20-14-3-1-2-13(8-14)19-10-16-17-18-19/h1-8,10H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.7219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.267 g/mol  logS: -3.16659  SlogP: 2.6468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560488  Sterimol/B1: 2.5426  Sterimol/B2: 3.58841  Sterimol/B3: 3.66114
  Sterimol/B4: 6.8772  Sterimol/L: 16.0201 
 
 Surface and Volume Properties
  Accessible surface: 491.379  Positive charged surface: 225.381  Negative charged surface: 232.692  Volume: 244.375
  Hydrophobic surface: 431.846  Hydrophilic surface: 59.533
 
 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.