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PUBCHEM-ZINC05825856

 MMsINC code: MMs03402808
Type: Neutral
Formula: C18H16N2O5
SMILES:   O1C(=C/C(/OC1(C)C)=C/C=C1C(=O)NC(=O)NC1=O)c1ccccc1
InChI:   InChI=1/C18H16N2O5/c1-18(2)24-12(10-14(25-18)11-6-4-3-5-7-11)8-9-13-15(21)19-17(23)20-16(13)22/h3-10H,1-2H3,(H2,19,20,21,22,23)/b12-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.335 g/mol  logS: -4.85478  SlogP: 1.9867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336109  Sterimol/B1: 1.969  Sterimol/B2: 3.67702  Sterimol/B3: 4.57976
  Sterimol/B4: 8.28082  Sterimol/L: 16.8869 
 
 Surface and Volume Properties
  Accessible surface: 570.38  Positive charged surface: 315.016  Negative charged surface: 255.364  Volume: 304.5
  Hydrophobic surface: 328.821  Hydrophilic surface: 241.559
 
 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.