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ASINEX-ZINC04183831

 MMsINC code: MMs00315839
Type: Neutral
Formula: C18H15F3N2O4
SMILES:   FC(F)(F)C1(O)NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(O)cc1
InChI:   InChI=1/C18H15F3N2O4/c19-18(20,21)17(27)13(15(25)11-4-2-1-3-5-11)14(22-16(26)23-17)10-6-8-12(24)9-7-10/h1-9,13-14,24,27H,(H2,22,23,26)/t13-,14-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.2015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.322 g/mol  logS: -3.95126  SlogP: 3.0115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283291  Sterimol/B1: 2.26049  Sterimol/B2: 3.72174  Sterimol/B3: 4.21368
  Sterimol/B4: 7.90403  Sterimol/L: 12.6988 
 
 Surface and Volume Properties
  Accessible surface: 529.791  Positive charged surface: 274.638  Negative charged surface: 255.154  Volume: 308
  Hydrophobic surface: 278.235  Hydrophilic surface: 251.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.