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MAYBRIDGE-ZINC04389225

 MMsINC code: MMs02173441
Type: Neutral
Formula: C14H13FN2O4
SMILES:   Fc1cc(c2OCOCc2c1)C(=O)NCc1noc(c1)C
InChI:   InChI=1/C14H13FN2O4/c1-8-2-11(17-21-8)5-16-14(18)12-4-10(15)3-9-6-19-7-20-13(9)12/h2-4H,5-7H2,1H3,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.266 g/mol  logS: -2.72747  SlogP: 2.45142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315304  Sterimol/B1: 2.50083  Sterimol/B2: 4.17102  Sterimol/B3: 4.60626
  Sterimol/B4: 5.11504  Sterimol/L: 16.0462 
 
 Surface and Volume Properties
  Accessible surface: 514.327  Positive charged surface: 310.808  Negative charged surface: 203.519  Volume: 254.25
  Hydrophobic surface: 390.224  Hydrophilic surface: 124.103
 
 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.