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PUBCHEM-ZINC02047608

 MMsINC code: MMs02865479
Type: Neutral
Formula: C19H13NO5
SMILES:   OC(=O)c1ccccc1N(C(=O)C(O)=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)

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Potential Energy
Epot(MMFF94)=155.568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.315 g/mol  logS: -5.14796  SlogP: 3.2873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.305781  Sterimol/B1: 3.76584  Sterimol/B2: 3.96459  Sterimol/B3: 5.60948
  Sterimol/B4: 5.83359  Sterimol/L: 12.7479 
 
 Surface and Volume Properties
  Accessible surface: 520.189  Positive charged surface: 270.074  Negative charged surface: 244.514  Volume: 296.875
  Hydrophobic surface: 348.159  Hydrophilic surface: 172.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02865480
PUBCHEM-ZINC02047608