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PEAKDALE-ZINC01743801

 MMsINC code: MMs02615612
Type: Neutral
Formula: C19H23N3O6
SMILES:   O(c1ccccc1\C=N\OCC(OC(C)(C)C)=O)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C19H23N3O6/c1-19(2,3)28-17(23)12-26-20-11-13-8-6-7-9-14(13)27-18-21-15(24-4)10-16(22-18)25-5/h6-11H,12H2,1-5H3/b20-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.9441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.408 g/mol  logS: -5.01893  SlogP: 2.9783  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131503  Sterimol/B1: 3.82951  Sterimol/B2: 4.42285  Sterimol/B3: 5.49003
  Sterimol/B4: 7.04109  Sterimol/L: 16.9765 
 
 Surface and Volume Properties
  Accessible surface: 662.451  Positive charged surface: 477.712  Negative charged surface: 184.739  Volume: 366.625
  Hydrophobic surface: 519.867  Hydrophilic surface: 142.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.