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CHEMDIV-ZINC04437518

 MMsINC code: MMs00935587
Type: Neutral
Formula: C15H14N2O4
SMILES:   O(CC)c1ccc(NC(=O)c2cccnc2C(O)=O)cc1
InChI:   InChI=1/C15H14N2O4/c1-2-21-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(19)20/h3-9H,2H2,1H3,(H,17,18)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.0232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -2.59664  SlogP: 2.4308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582582  Sterimol/B1: 2.74748  Sterimol/B2: 4.27274  Sterimol/B3: 4.3753
  Sterimol/B4: 5.00721  Sterimol/L: 17.1198 
 
 Surface and Volume Properties
  Accessible surface: 527.846  Positive charged surface: 340.329  Negative charged surface: 187.517  Volume: 263
  Hydrophobic surface: 360.699  Hydrophilic surface: 167.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00935588
CHEMDIV-ZINC04437518