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ASINEX-ZINC02300696

 MMsINC code: MMs00268266
Type: Neutral
Formula: C18H13F3N2O3
SMILES:   FC(F)(F)c1ccccc1NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C18H13F3N2O3/c1-23-13-9-5-2-6-10(13)15(24)14(17(23)26)16(25)22-12-8-4-3-7-11(12)18(19,20)21/h2-9,24H,1H3,(H,22,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.307 g/mol  logS: -4.84585  SlogP: 3.9011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253119  Sterimol/B1: 2.22215  Sterimol/B2: 2.98369  Sterimol/B3: 3.2759
  Sterimol/B4: 7.38806  Sterimol/L: 16.1826 
 
 Surface and Volume Properties
  Accessible surface: 540.735  Positive charged surface: 270.781  Negative charged surface: 269.954  Volume: 297.25
  Hydrophobic surface: 379.714  Hydrophilic surface: 161.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.