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ASINEX-ZINC06681898

 MMsINC code: MMs00445371
Type: Neutral
Formula: C11H9NO4
SMILES:   o1nc(cc1C(O)=O)-c1cc(OC)ccc1
InChI:   InChI=1/C11H9NO4/c1-15-8-4-2-3-7(5-8)9-6-10(11(13)14)16-12-9/h2-6H,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=51.9434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.196 g/mol  logS: -2.59911  SlogP: 2.0484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00513224  Sterimol/B1: 2.36649  Sterimol/B2: 2.38231  Sterimol/B3: 2.6166
  Sterimol/B4: 5.27098  Sterimol/L: 15.0647 
 
 Surface and Volume Properties
  Accessible surface: 419.078  Positive charged surface: 241.24  Negative charged surface: 177.839  Volume: 193.5
  Hydrophobic surface: 274.205  Hydrophilic surface: 144.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00445372
ASINEX-ZINC06681898