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PUBCHEM-ZINC05934552

 MMsINC code: MMs03452287
Type: Neutral
Formula: C19H15NO2
SMILES:   Oc1ccccc1\C=N\c1cc(ccc1O)-c1ccccc1
InChI:   InChI=1/C19H15NO2/c21-18-9-5-4-8-16(18)13-20-17-12-15(10-11-19(17)22)14-6-2-1-3-7-14/h1-13,21-22H/b20-13+

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Potential Energy
Epot(MMFF94)=102.207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -5.0121  SlogP: 4.5154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0248241  Sterimol/B1: 2.84021  Sterimol/B2: 2.87625  Sterimol/B3: 3.20149
  Sterimol/B4: 7.72201  Sterimol/L: 16.5979 
 
 Surface and Volume Properties
  Accessible surface: 547.38  Positive charged surface: 299.599  Negative charged surface: 236.71  Volume: 287.75
  Hydrophobic surface: 453.904  Hydrophilic surface: 93.476
 
 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.