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ASINEX-ZINC00055416

 MMsINC code: MMs00066344
Type: Neutral
Formula: C20H12FNO2
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C/c1cc2c(cc1)cccc2
InChI:   InChI=1/C20H12FNO2/c21-17-8-4-3-7-16(17)19-22-18(20(23)24-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H/b18-12-

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Potential Energy
Epot(MMFF94)=97.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.319 g/mol  logS: -7.22987  SlogP: 4.3234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000521885  Sterimol/B1: 2.13733  Sterimol/B2: 2.29311  Sterimol/B3: 2.97815
  Sterimol/B4: 7.92748  Sterimol/L: 17.0867 
 
 Surface and Volume Properties
  Accessible surface: 543.202  Positive charged surface: 269.986  Negative charged surface: 262.144  Volume: 291.75
  Hydrophobic surface: 461.732  Hydrophilic surface: 81.47
 
 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.