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ASINEX-ZINC00052784

 MMsINC code: MMs00065626
Type: Neutral
Formula: C14H10F2N4
SMILES:   Fc1ccc(cc1)-c1nn(nn1)Cc1ccc(F)cc1
InChI:   InChI=1/C14H10F2N4/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(16)8-4-11/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.3185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.258 g/mol  logS: -4.27299  SlogP: 2.933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857033  Sterimol/B1: 3.19723  Sterimol/B2: 3.2623  Sterimol/B3: 4.18544
  Sterimol/B4: 5.33016  Sterimol/L: 14.7885 
 
 Surface and Volume Properties
  Accessible surface: 483.27  Positive charged surface: 232.445  Negative charged surface: 250.825  Volume: 239.875
  Hydrophobic surface: 414.763  Hydrophilic surface: 68.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.