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MAYBRIDGE-ZINC00140734

 MMsINC code: MMs02139445
Type: Neutral
Formula: C17H14FNO2
SMILES:   Fc1ccc(cc1)C(O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C17H14FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10,17,20H,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=88.1087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.302 g/mol  logS: -4.5737  SlogP: 3.96632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162825  Sterimol/B1: 2.17246  Sterimol/B2: 3.38231  Sterimol/B3: 4.22735
  Sterimol/B4: 7.81591  Sterimol/L: 13.0845 
 
 Surface and Volume Properties
  Accessible surface: 481.453  Positive charged surface: 219.933  Negative charged surface: 261.52  Volume: 263
  Hydrophobic surface: 423.062  Hydrophilic surface: 58.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.