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ASINEX-ZINC00310796

 MMsINC code: MMs00116031
Type: Neutral
Formula: C13H10FNO2
SMILES:   Fc1ccc(\N=C\c2ccc(O)cc2O)cc1
InChI:   InChI=1/C13H10FNO2/c14-10-2-4-11(5-3-10)15-8-9-1-6-12(16)7-13(9)17/h1-8,16-17H/b15-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.7113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.226 g/mol  logS: -2.8807  SlogP: 2.9875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252798  Sterimol/B1: 2.22833  Sterimol/B2: 2.59892  Sterimol/B3: 3.11699
  Sterimol/B4: 4.97757  Sterimol/L: 15.0549 
 
 Surface and Volume Properties
  Accessible surface: 443.601  Positive charged surface: 249.763  Negative charged surface: 193.838  Volume: 212
  Hydrophobic surface: 342.641  Hydrophilic surface: 100.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.