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ENAMINE-ZINC03234180

 MMsINC code: MMs01320762
Type: Neutral
Formula: C15H14FN3O5
SMILES:   Fc1ccc(cc1)C(OCC(=O)C=1C(=O)N(C)C(=O)N(C)C=1N)=O
InChI:   InChI=1/C15H14FN3O5/c1-18-12(17)11(13(21)19(2)15(18)23)10(20)7-24-14(22)8-3-5-9(16)6-4-8/h3-6H,7,17H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.291 g/mol  logS: -3.05918  SlogP: 0.2457  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00695107  Sterimol/B1: 2.52402  Sterimol/B2: 2.61736  Sterimol/B3: 2.66588
  Sterimol/B4: 6.85682  Sterimol/L: 17.2166 
 
 Surface and Volume Properties
  Accessible surface: 546.287  Positive charged surface: 352.504  Negative charged surface: 193.783  Volume: 283.875
  Hydrophobic surface: 371.995  Hydrophilic surface: 174.292
 
 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.