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PUBCHEM-ZINC02952522

 MMsINC code: MMs02965808
Type: Neutral
Formula: C16H12N2O4
SMILES:   O=C1N(c2ccc(cc2)CC(O)=O)C(=O)Nc2c1cccc2
InChI:   InChI=1/C16H12N2O4/c19-14(20)9-10-5-7-11(8-6-10)18-15(21)12-3-1-2-4-13(12)17-16(18)22/h1-8H,9H2,(H,17,22)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.282 g/mol  logS: -3.68664  SlogP: 2.50597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479152  Sterimol/B1: 2.54504  Sterimol/B2: 3.61997  Sterimol/B3: 3.62495
  Sterimol/B4: 6.1473  Sterimol/L: 16.7317 
 
 Surface and Volume Properties
  Accessible surface: 511.448  Positive charged surface: 291.218  Negative charged surface: 220.23  Volume: 263.875
  Hydrophobic surface: 326.784  Hydrophilic surface: 184.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02965809
PUBCHEM-ZINC02952522