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IBS-ZINC05210251

 MMsINC code: MMs01931545
Type: Neutral
Formula: C15H10N2O4
SMILES:   O=C1N(c2ccccc2C(O)=O)C(=O)Nc2c1cccc2
InChI:   InChI=1/C15H10N2O4/c18-13-9-5-1-3-7-11(9)16-15(21)17(13)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,16,21)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.255 g/mol  logS: -3.62517  SlogP: 2.5771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150888  Sterimol/B1: 2.77198  Sterimol/B2: 4.16543  Sterimol/B3: 5.40581
  Sterimol/B4: 5.54772  Sterimol/L: 14.1911 
 
 Surface and Volume Properties
  Accessible surface: 465.94  Positive charged surface: 246.867  Negative charged surface: 219.073  Volume: 245
  Hydrophobic surface: 308.424  Hydrophilic surface: 157.516
 
 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


MMs01931546
IBS-ZINC05210251