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PUBCHEM-ZINC01843336

 MMsINC code: MMs02822456
Type: Neutral
Formula: C14H14N2O5
SMILES:   O1c2cc(ccc2OC1)CC1(CC)C(=O)NC(=O)NC1=O
InChI:   InChI=1/C14H14N2O5/c1-2-14(11(17)15-13(19)16-12(14)18)6-8-3-4-9-10(5-8)21-7-20-9/h3-5H,2,6-7H2,1H3,(H2,15,16,17,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.275 g/mol  logS: -2.78573  SlogP: 0.72017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200763  Sterimol/B1: 3.54803  Sterimol/B2: 3.89268  Sterimol/B3: 4.2715
  Sterimol/B4: 4.62087  Sterimol/L: 13.6907 
 
 Surface and Volume Properties
  Accessible surface: 454.901  Positive charged surface: 274.46  Negative charged surface: 180.441  Volume: 249.125
  Hydrophobic surface: 242.249  Hydrophilic surface: 212.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.