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PUBCHEM-ZINC00296808

 MMsINC code: MMs02651462
Type: Ionized
Formula: C13H8ClN2O3-
SMILES:   Clc1ccc(nc1)NC(=O)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C13H9ClN2O3/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(18)19/h1-7H,(H,18,19)(H,15,16,17)/p-1

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Potential Energy
Epot(MMFF94)=27.0254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.671 g/mol  logS: -3.37213  SlogP: 1.3508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100913  Sterimol/B1: 2.12213  Sterimol/B2: 2.65748  Sterimol/B3: 3.13083
  Sterimol/B4: 6.21974  Sterimol/L: 15.642 
 
 Surface and Volume Properties
  Accessible surface: 463.441  Positive charged surface: 206.96  Negative charged surface: 256.48  Volume: 232.625
  Hydrophobic surface: 340.899  Hydrophilic surface: 122.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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:


MMs02651461
PUBCHEM-ZINC00296808