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TYGER-ZINC02547181

 MMsINC code: MMs03950312
Type: Neutral
Formula: C7H6F2N2O
SMILES:   Fc1cccc(F)c1/C(=N/O)/N
InChI:   InChI=1/C7H6F2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.134 g/mol  logS: -2.04218  SlogP: 1.0593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307921  Sterimol/B1: 3.56382  Sterimol/B2: 3.87644  Sterimol/B3: 3.8766
  Sterimol/B4: 4.2037  Sterimol/L: 9.7175 
 
 Surface and Volume Properties
  Accessible surface: 335.587  Positive charged surface: 172.139  Negative charged surface: 163.448  Volume: 141.625
  Hydrophobic surface: 197.773  Hydrophilic surface: 137.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.