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ENAMINE-ZINC00138156

 MMsINC code: MMs01225275
Type: Neutral
Formula: C13H11NO2
SMILES:   Oc1ccccc1\C=N\c1ccccc1O
InChI:   InChI=1/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H/b14-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.236 g/mol  logS: -2.58572  SlogP: 2.8484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437928  Sterimol/B1: 2.46527  Sterimol/B2: 2.67314  Sterimol/B3: 3.35689
  Sterimol/B4: 5.26059  Sterimol/L: 14.1737 
 
 Surface and Volume Properties
  Accessible surface: 432.875  Positive charged surface: 261.981  Negative charged surface: 170.894  Volume: 208.375
  Hydrophobic surface: 339.54  Hydrophilic surface: 93.335
 
 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.