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CHEMBRIDGE-ZINC00095953

 MMsINC code: MMs00587615
Type: Neutral
Formula: C15H14N2O4
SMILES:   Oc1cc(cc(O)c1)C(=O)N\N=C(/C)\c1ccc(O)cc1
InChI:   InChI=1/C15H14N2O4/c1-9(10-2-4-12(18)5-3-10)16-17-15(21)11-6-13(19)8-14(20)7-11/h2-8,18-20H,1H3,(H,17,21)/b16-9-

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Potential Energy
Epot(MMFF94)=98.51 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -2.75846  SlogP: 1.9574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357477  Sterimol/B1: 2.39784  Sterimol/B2: 2.82128  Sterimol/B3: 2.88949
  Sterimol/B4: 8.26945  Sterimol/L: 14.0146 
 
 Surface and Volume Properties
  Accessible surface: 513.953  Positive charged surface: 296.128  Negative charged surface: 217.826  Volume: 261.875
  Hydrophobic surface: 302.099  Hydrophilic surface: 211.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.