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CHEMBLOCK-ZINC04460284

 MMsINC code: MMs00552102
Type: Neutral
Formula: C22H16FNO2
SMILES:   Fc1ccc(cc1)\C=C\C(=O)c1ccc(\N=C\c2ccc(O)cc2)cc1
InChI:   InChI=1/C22H16FNO2/c23-19-8-1-16(2-9-19)5-14-22(26)18-6-10-20(11-7-18)24-15-17-3-12-21(25)13-4-17/h1-15,25H/b14-5+,24-15+

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Potential Energy
Epot(MMFF94)=93.9056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.373 g/mol  logS: -5.82128  SlogP: 5.178  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00989107  Sterimol/B1: 2.80465  Sterimol/B2: 2.91859  Sterimol/B3: 4.96746
  Sterimol/B4: 5.06899  Sterimol/L: 21.3512 
 
 Surface and Volume Properties
  Accessible surface: 632.66  Positive charged surface: 318.787  Negative charged surface: 313.872  Volume: 332.625
  Hydrophobic surface: 530.524  Hydrophilic surface: 102.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.