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PUBCHEM-ZINC00583103

 MMsINC code: MMs02710246
Type: Neutral
Formula: C16H14N2O5
SMILES:   O1c2cc(ccc2OC1)C(=O)N\N=C\c1cc(OC)ccc1O
InChI:   InChI=1/C16H14N2O5/c1-21-12-3-4-13(19)11(6-12)8-17-18-16(20)10-2-5-14-15(7-10)23-9-22-14/h2-8,19H,9H2,1H3,(H,18,20)/b17-8+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.297 g/mol  logS: -3.18168  SlogP: 1.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0045907  Sterimol/B1: 2.35791  Sterimol/B2: 2.74999  Sterimol/B3: 3.34781
  Sterimol/B4: 5.13955  Sterimol/L: 20.0199 
 
 Surface and Volume Properties
  Accessible surface: 553.9  Positive charged surface: 372.068  Negative charged surface: 181.832  Volume: 281.375
  Hydrophobic surface: 385.548  Hydrophilic surface: 168.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.