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CHEMBLOCK-ZINC04625538

 MMsINC code: MMs00565388
Type: Neutral
Formula: C10H8F2N2O
SMILES:   FC(F)c1[nH]nc(c1)-c1ccccc1O
InChI:   InChI=1/C10H8F2N2O/c11-10(12)8-5-7(13-14-8)6-3-1-2-4-9(6)15/h1-5,10,15H,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.183 g/mol  logS: -2.50874  SlogP: 2.8154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130223  Sterimol/B1: 2.16168  Sterimol/B2: 2.50736  Sterimol/B3: 2.55513
  Sterimol/B4: 5.70271  Sterimol/L: 12.6884 
 
 Surface and Volume Properties
  Accessible surface: 386.505  Positive charged surface: 195.16  Negative charged surface: 191.345  Volume: 178.625
  Hydrophobic surface: 208.122  Hydrophilic surface: 178.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.