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IBS-ZINC00239688

MMsINC code: MMs01733473

Type: Neutral
Formula: C16H13FN2O2
SMILES:   Fc1ccc(cc1)-c1c([nH]nc1C)-c1ccc(O)cc1O
InChI:   InChI=1/C16H13FN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=68.6017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.29 g/mol  logS: -4.52695  SlogP: 3.60242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205788  Sterimol/B1: 3.36007  Sterimol/B2: 3.49926  Sterimol/B3: 4.39633
  Sterimol/B4: 7.77488  Sterimol/L: 12.5628 
 
 Surface and Volume Properties
  Accessible surface: 492.114  Positive charged surface: 295.678  Negative charged surface: 196.436  Volume: 259.75
  Hydrophobic surface: 349.324  Hydrophilic surface: 142.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.