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PUBCHEM-ZINC00613837

 MMsINC code: MMs02713400
Type: Ionized
Formula: C15H13N2O5-
SMILES:   O(C)c1cc(OC)ccc1NC(=O)c1cccnc1C(=O)[O-]
InChI:   InChI=1/C15H14N2O5/c1-21-9-5-6-11(12(8-9)22-2)17-14(18)10-4-3-7-16-13(10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=81.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.278 g/mol  logS: -2.58026  SlogP: 0.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228037  Sterimol/B1: 2.75466  Sterimol/B2: 2.93856  Sterimol/B3: 3.23519
  Sterimol/B4: 6.81589  Sterimol/L: 16.5267 
 
 Surface and Volume Properties
  Accessible surface: 506.578  Positive charged surface: 335.146  Negative charged surface: 171.432  Volume: 268.875
  Hydrophobic surface: 383.271  Hydrophilic surface: 123.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  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:


MMs02713399
PUBCHEM-ZINC00613837