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CHEMDIV-ZINC00240936

 MMsINC code: MMs00845288
Type: Tautomer
Formula: C10H10N2O4
SMILES:   OC(=O)c1ccc(NC(=O)CC(=O)N)cc1
InChI:   InChI=1/C10H10N2O4/c11-8(13)5-9(14)12-7-3-1-6(2-4-7)10(15)16/h1-4H,5H2,(H2,11,13)(H,12,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.2 g/mol  logS: -1.71685  SlogP: 0.1987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160109  Sterimol/B1: 2.37512  Sterimol/B2: 2.51988  Sterimol/B3: 2.89377
  Sterimol/B4: 5.18404  Sterimol/L: 15.1656 
 
 Surface and Volume Properties
  Accessible surface: 422.435  Positive charged surface: 257.473  Negative charged surface: 164.962  Volume: 193.75
  Hydrophobic surface: 179.725  Hydrophilic surface: 242.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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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Parent related molecule:


MMs00845284
CHEMDIV-ZINC00240936