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CHEMBLOCK-ZINC01838255

 MMsINC code: MMs00528924
Type: Neutral
Formula: C14H10F2N2
SMILES:   Fc1ccc(cc1)\C=N\N=C\c1ccc(F)cc1
InChI:   InChI=1/C14H10F2N2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-10H/b17-9+,18-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.244 g/mol  logS: -4.08286  SlogP: 3.4178  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.36222e-07  Sterimol/B1: 2.09703  Sterimol/B2: 2.10329  Sterimol/B3: 2.58041
  Sterimol/B4: 5.22512  Sterimol/L: 16.8738 
 
 Surface and Volume Properties
  Accessible surface: 473.026  Positive charged surface: 253.393  Negative charged surface: 219.633  Volume: 226.5
  Hydrophobic surface: 425.182  Hydrophilic surface: 47.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.