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ASINEX-ZINC00810964

 MMsINC code: MMs00175369
Type: Ionized
Formula: C11H8NO4-
SMILES:   o1nc(cc1-c1cc(OC)ccc1)C(=O)[O-]
InChI:   InChI=1/C11H9NO4/c1-15-8-4-2-3-7(5-8)10-6-9(11(13)14)12-16-10/h2-6H,1H3,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.188 g/mol  logS: -2.85956  SlogP: 0.7137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00598666  Sterimol/B1: 2.38781  Sterimol/B2: 2.38962  Sterimol/B3: 2.77302
  Sterimol/B4: 5.5026  Sterimol/L: 14.3925 
 
 Surface and Volume Properties
  Accessible surface: 413.137  Positive charged surface: 212.903  Negative charged surface: 200.235  Volume: 193.25
  Hydrophobic surface: 282.844  Hydrophilic surface: 130.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:


MMs00175368
ASINEX-ZINC00810964