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ASINEX-ZINC02819788

 MMsINC code: MMs00278561
Type: Neutral
Formula: C15H14N2O4
SMILES:   O(NC(=O)c1ccccc1)CONC(=O)c1ccccc1
InChI:   InChI=1/C15H14N2O4/c18-14(12-7-3-1-4-8-12)16-20-11-21-17-15(19)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -3.6861  SlogP: 1.6671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00164205  Sterimol/B1: 2.37376  Sterimol/B2: 2.37634  Sterimol/B3: 3.2447
  Sterimol/B4: 5.13232  Sterimol/L: 19.3216 
 
 Surface and Volume Properties
  Accessible surface: 554.66  Positive charged surface: 286.768  Negative charged surface: 267.892  Volume: 265.75
  Hydrophobic surface: 414.135  Hydrophilic surface: 140.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.