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PUBCHEM-ZINC00315812

 MMsINC code: MMs02652804
Type: Neutral
Formula: C19H16FNO2
SMILES:   Fc1ccc(cc1)C=1OC(=O)/C(/N=1)=C\c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H16FNO2/c1-12(2)14-5-3-13(4-6-14)11-17-19(22)23-18(21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3/b17-11+

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Potential Energy
Epot(MMFF94)=89.4834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.34 g/mol  logS: -6.85635  SlogP: 4.2936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276439  Sterimol/B1: 2.44974  Sterimol/B2: 2.50319  Sterimol/B3: 4.16026
  Sterimol/B4: 5.90252  Sterimol/L: 18.5802 
 
 Surface and Volume Properties
  Accessible surface: 552.77  Positive charged surface: 312.075  Negative charged surface: 240.695  Volume: 297.125
  Hydrophobic surface: 448.331  Hydrophilic surface: 104.439
 
 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.