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PUBCHEM-ZINC01470249

 MMsINC code: MMs02810595
Type: Neutral
Formula: C23H17FN2O2
SMILES:   Fc1ccccc1COc1ccc(cc1)-c1nn(cc1C=O)-c1ccccc1
InChI:   InChI=1/C23H17FN2O2/c24-22-9-5-4-6-18(22)16-28-21-12-10-17(11-13-21)23-19(15-27)14-26(25-23)20-7-2-1-3-8-20/h1-15H,16H2

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Potential Energy
Epot(MMFF94)=98.8542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.399 g/mol  logS: -6.05334  SlogP: 5.3363  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0111983  Sterimol/B1: 2.34788  Sterimol/B2: 3.25605  Sterimol/B3: 3.29904
  Sterimol/B4: 7.34325  Sterimol/L: 21.3016 
 
 Surface and Volume Properties
  Accessible surface: 648.331  Positive charged surface: 323.245  Negative charged surface: 325.087  Volume: 354
  Hydrophobic surface: 554.923  Hydrophilic surface: 93.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.