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ASINEX-ZINC04817151

 MMsINC code: MMs00373764
Type: Neutral
Formula: C19H16N2O4
SMILES:   O1CCN(CC1)C(=O)c1ccc2c(c1N)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C19H16N2O4/c20-16-14(19(24)21-7-9-25-10-8-21)6-5-13-15(16)18(23)12-4-2-1-3-11(12)17(13)22/h1-6H,7-10,20H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.347 g/mol  logS: -3.9375  SlogP: 1.5166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557773  Sterimol/B1: 3.4585  Sterimol/B2: 4.02361  Sterimol/B3: 4.16173
  Sterimol/B4: 4.55883  Sterimol/L: 16.8709 
 
 Surface and Volume Properties
  Accessible surface: 532.624  Positive charged surface: 354.904  Negative charged surface: 177.72  Volume: 303.625
  Hydrophobic surface: 392.219  Hydrophilic surface: 140.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.