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ASINEX-ZINC00354230

 MMsINC code: MMs00123234
Type: Neutral
Formula: C18H19N3O4
SMILES:   O(c1cc(NC(=O)C)c(NC(=O)C)cc1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C18H19N3O4/c1-11(22)19-14-4-6-15(7-5-14)25-16-8-9-17(20-12(2)23)18(10-16)21-13(3)24/h4-10H,1-3H3,(H,19,22)(H,20,23)(H,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.31 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.367 g/mol  logS: -3.79594  SlogP: 3.3541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967595  Sterimol/B1: 2.26288  Sterimol/B2: 4.671  Sterimol/B3: 5.77362
  Sterimol/B4: 6.77261  Sterimol/L: 16.4256 
 
 Surface and Volume Properties
  Accessible surface: 618.25  Positive charged surface: 374.798  Negative charged surface: 243.452  Volume: 322
  Hydrophobic surface: 477.781  Hydrophilic surface: 140.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.