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CHEMBRIDGE-ZINC04992025

 MMsINC code: MMs00823476
Type: Neutral
Formula: C17H13NO4
SMILES:   O1C(=N\C(=C\c2ccccc2O)\C1=O)c1ccccc1OC
InChI:   InChI=1/C17H13NO4/c1-21-15-9-5-3-7-12(15)16-18-13(17(20)22-16)10-11-6-2-4-8-14(11)19/h2-10,19H,1H3/b13-10-

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Potential Energy
Epot(MMFF94)=103.926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.294 g/mol  logS: -4.74544  SlogP: 2.7453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107672  Sterimol/B1: 1.969  Sterimol/B2: 2.34733  Sterimol/B3: 2.47959
  Sterimol/B4: 8.82216  Sterimol/L: 14.6234 
 
 Surface and Volume Properties
  Accessible surface: 501.647  Positive charged surface: 295.792  Negative charged surface: 205.854  Volume: 273.75
  Hydrophobic surface: 379.159  Hydrophilic surface: 122.488
 
 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.