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PUBCHEM-ZINC00524366

 MMsINC code: MMs02699549
Type: Neutral
Formula: C14H12FNO
SMILES:   Fc1ccc(cc1)\C=N\c1cc(ccc1)CO
InChI:   InChI=1/C14H12FNO/c15-13-6-4-11(5-7-13)9-16-14-3-1-2-12(8-14)10-17/h1-9,17H,10H2/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.254 g/mol  logS: -3.37562  SlogP: 3.335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412451  Sterimol/B1: 2.17162  Sterimol/B2: 2.52253  Sterimol/B3: 3.8963
  Sterimol/B4: 5.78558  Sterimol/L: 14.8849 
 
 Surface and Volume Properties
  Accessible surface: 465  Positive charged surface: 268.359  Negative charged surface: 196.641  Volume: 223.625
  Hydrophobic surface: 384.651  Hydrophilic surface: 80.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.