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PUBCHEM-ZINC00225961

 MMsINC code: MMs02642347
Type: Neutral
Formula: C14H12N2O3
SMILES:   OC(=O)c1cc(N)c(NC(=O)c2ccccc2)cc1
InChI:   InChI=1/C14H12N2O3/c15-11-8-10(14(18)19)6-7-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.261 g/mol  logS: -3.04515  SlogP: 2.2193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0123772  Sterimol/B1: 2.49919  Sterimol/B2: 2.55956  Sterimol/B3: 3.87952
  Sterimol/B4: 4.59361  Sterimol/L: 15.9812 
 
 Surface and Volume Properties
  Accessible surface: 469.455  Positive charged surface: 262.767  Negative charged surface: 206.688  Volume: 236.375
  Hydrophobic surface: 288.678  Hydrophilic surface: 180.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs02642348
PUBCHEM-ZINC00225961