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ASINEX-ZINC00197218

 MMsINC code: MMs00090479
Type: Neutral
Formula: C17H12FNO2
SMILES:   Fc1ccccc1\C=C\1/N=C(OC/1=O)c1cc(ccc1)C
InChI:   InChI=1/C17H12FNO2/c1-11-5-4-7-13(9-11)16-19-15(17(20)21-16)10-12-6-2-3-8-14(12)18/h2-10H,1H3/b15-10+

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Potential Energy
Epot(MMFF94)=82.0458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.286 g/mol  logS: -5.82591  SlogP: 3.47862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197325  Sterimol/B1: 2.18991  Sterimol/B2: 2.39204  Sterimol/B3: 3.23091
  Sterimol/B4: 5.94223  Sterimol/L: 16.4331 
 
 Surface and Volume Properties
  Accessible surface: 510.079  Positive charged surface: 272.264  Negative charged surface: 237.815  Volume: 259.875
  Hydrophobic surface: 444.819  Hydrophilic surface: 65.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.