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PUBCHEM-ZINC00987918

 MMsINC code: MMs02750390
Type: Neutral
Formula: C17H11NO3
SMILES:   o1nc(C(=O)c2ccccc2)c(c1)C(=O)c1ccccc1
InChI:   InChI=1/C17H11NO3/c19-16(12-7-3-1-4-8-12)14-11-21-18-15(14)17(20)13-9-5-2-6-10-13/h1-11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.23 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.279 g/mol  logS: -4.32977  SlogP: 3.1366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00829527  Sterimol/B1: 2.48672  Sterimol/B2: 2.64201  Sterimol/B3: 3.87241
  Sterimol/B4: 4.31317  Sterimol/L: 16.8062 
 
 Surface and Volume Properties
  Accessible surface: 488.376  Positive charged surface: 224.299  Negative charged surface: 264.077  Volume: 258.375
  Hydrophobic surface: 413.413  Hydrophilic surface: 74.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.