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ASINEX-ZINC00082231

 MMsINC code: MMs00071421
Type: Tautomer
Formula: C19H16FNO4
SMILES:   Fc1ccccc1C1N(C)C(=O)C(=O)C1C(=O)c1ccc(OC)cc1
InChI:   InChI=1/C19H16FNO4/c1-21-16(13-5-3-4-6-14(13)20)15(18(23)19(21)24)17(22)11-7-9-12(25-2)10-8-11/h3-10,15-16H,1-2H3/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.338 g/mol  logS: -4.1063  SlogP: 2.5111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151703  Sterimol/B1: 2.34762  Sterimol/B2: 4.43049  Sterimol/B3: 5.4289
  Sterimol/B4: 6.34505  Sterimol/L: 14.9637 
 
 Surface and Volume Properties
  Accessible surface: 531.604  Positive charged surface: 336.871  Negative charged surface: 194.733  Volume: 306.125
  Hydrophobic surface: 416.334  Hydrophilic surface: 115.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00071420
ASINEX-ZINC00082231