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PEAKDALE-ZINC01496540

 MMsINC code: MMs02610032
Type: Neutral
Formula: C14H15N3O4
SMILES:   O(c1ccccc1C(=O)NC)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C14H15N3O4/c1-15-13(18)9-6-4-5-7-10(9)21-14-16-11(19-2)8-12(17-14)20-3/h4-8H,1-3H3,(H,15,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.4713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.291 g/mol  logS: -3.5416  SlogP: 1.6457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278599  Sterimol/B1: 2.13195  Sterimol/B2: 3.59378  Sterimol/B3: 5.16929
  Sterimol/B4: 8.46443  Sterimol/L: 13.5532 
 
 Surface and Volume Properties
  Accessible surface: 519.053  Positive charged surface: 398.752  Negative charged surface: 120.302  Volume: 266.625
  Hydrophobic surface: 436.494  Hydrophilic surface: 82.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.