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ASINEX-ZINC00074331

 MMsINC code: MMs00069670
Type: Neutral
Formula: C16H13FN2O
SMILES:   Fc1ccc(cc1)-c1[nH]nc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C16H13FN2O/c1-10-2-7-16(20)13(8-10)15-9-14(18-19-15)11-3-5-12(17)6-4-11/h2-9,20H,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=69.5294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.291 g/mol  logS: -5.01823  SlogP: 3.89682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00436729  Sterimol/B1: 2.11584  Sterimol/B2: 2.50645  Sterimol/B3: 2.8171
  Sterimol/B4: 5.7062  Sterimol/L: 16.4317 
 
 Surface and Volume Properties
  Accessible surface: 489.785  Positive charged surface: 256.152  Negative charged surface: 233.633  Volume: 251.625
  Hydrophobic surface: 395.802  Hydrophilic surface: 93.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.