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ENAMINE-ZINC03393048

 MMsINC code: MMs01414963
Type: Neutral
Formula: C19H15FN2O5
SMILES:   Fc1ccc(cc1)C(=O)NNC(=O)COC(=O)c1oc2c(cccc2)c1C
InChI:   InChI=1/C19H15FN2O5/c1-11-14-4-2-3-5-15(14)27-17(11)19(25)26-10-16(23)21-22-18(24)12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=94.8477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.336 g/mol  logS: -6.04527  SlogP: 2.49832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00234845  Sterimol/B1: 2.06381  Sterimol/B2: 2.37918  Sterimol/B3: 2.51155
  Sterimol/B4: 7.59486  Sterimol/L: 21.1934 
 
 Surface and Volume Properties
  Accessible surface: 641.664  Positive charged surface: 339.918  Negative charged surface: 295.819  Volume: 324.5
  Hydrophobic surface: 487.356  Hydrophilic surface: 154.308
 
 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.