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ENAMINE-ZINC05525636

 MMsINC code: MMs01620433
Type: Neutral
Formula: C16H14F2N2O4
SMILES:   FC(F)Oc1cc(ccc1)C(OCCNC(=O)c1ccncc1)=O
InChI:   InChI=1/C16H14F2N2O4/c17-16(18)24-13-3-1-2-12(10-13)15(22)23-9-8-20-14(21)11-4-6-19-7-5-11/h1-7,10,16H,8-9H2,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.294 g/mol  logS: -2.58319  SlogP: 2.6897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483495  Sterimol/B1: 2.20082  Sterimol/B2: 3.5208  Sterimol/B3: 4.69814
  Sterimol/B4: 6.37329  Sterimol/L: 17.8996 
 
 Surface and Volume Properties
  Accessible surface: 577.953  Positive charged surface: 351.679  Negative charged surface: 226.274  Volume: 289.25
  Hydrophobic surface: 398.474  Hydrophilic surface: 179.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.