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ENAMINE-ZINC03180224

 MMsINC code: MMs01297372
Type: Neutral
Formula: C13H12F2N2O4
SMILES:   FC(F)Oc1ccc(cc1)\C=N\NC(=O)C=1OCCOC=1
InChI:   InChI=1/C13H12F2N2O4/c14-13(15)21-10-3-1-9(2-4-10)7-16-17-12(18)11-8-19-5-6-20-11/h1-4,7-8,13H,5-6H2,(H,17,18)/b16-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.245 g/mol  logS: -2.43318  SlogP: 2.0462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00961462  Sterimol/B1: 2.50237  Sterimol/B2: 2.83305  Sterimol/B3: 2.98666
  Sterimol/B4: 5.45068  Sterimol/L: 18.1776 
 
 Surface and Volume Properties
  Accessible surface: 512.98  Positive charged surface: 298.059  Negative charged surface: 214.921  Volume: 249
  Hydrophobic surface: 324.497  Hydrophilic surface: 188.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.