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PUBCHEM-ZINC00441835

 MMsINC code: MMs02683952
Type: Neutral
Formula: C16H12FNO2
SMILES:   Fc1ccc(cc1)-c1noc(c1)-c1ccc(cc1O)C
InChI:   InChI=1/C16H12FNO2/c1-10-2-7-13(15(19)8-10)16-9-14(18-20-16)11-3-5-12(17)6-4-11/h2-9,19H,1H3

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Potential Energy
Epot(MMFF94)=73.4414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.275 g/mol  logS: -5.22854  SlogP: 4.16172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.022477  Sterimol/B1: 2.66983  Sterimol/B2: 2.94278  Sterimol/B3: 3.28325
  Sterimol/B4: 5.02852  Sterimol/L: 16.7175 
 
 Surface and Volume Properties
  Accessible surface: 495.131  Positive charged surface: 253.307  Negative charged surface: 241.824  Volume: 249
  Hydrophobic surface: 424.135  Hydrophilic surface: 70.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.