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IBS-ZINC04738423

 MMsINC code: MMs01891114
Type: Neutral
Formula: C15H14N2O4
SMILES:   OC=1N(C)C(=O)N(C)C(=O)C=1C(=O)\C=C\c1ccccc1
InChI:   InChI=1/C15H14N2O4/c1-16-13(19)12(14(20)17(2)15(16)21)11(18)9-8-10-6-4-3-5-7-10/h3-9,19H,1-2H3/b9-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.4566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -2.77902  SlogP: 1.5623  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00750139  Sterimol/B1: 2.53053  Sterimol/B2: 2.66714  Sterimol/B3: 3.15355
  Sterimol/B4: 6.16696  Sterimol/L: 15.7171 
 
 Surface and Volume Properties
  Accessible surface: 507.436  Positive charged surface: 327.857  Negative charged surface: 179.58  Volume: 260.75
  Hydrophobic surface: 393.378  Hydrophilic surface: 114.058
 
 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.