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AURORAFEINCHEMIE-ZINC06665898

 MMsINC code: MMs00478198
Type: Neutral
Formula: C14H11NO3
SMILES:   Oc1ccccc1\C=N/c1ccccc1C(O)=O
InChI:   InChI=1/C14H11NO3/c16-13-8-4-1-5-10(13)9-15-12-7-3-2-6-11(12)14(17)18/h1-9,16H,(H,17,18)/b15-9-

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Potential Energy
Epot(MMFF94)=105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -2.91707  SlogP: 2.841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178779  Sterimol/B1: 2.097  Sterimol/B2: 3.23069  Sterimol/B3: 4.96276
  Sterimol/B4: 5.55582  Sterimol/L: 11.9213 
 
 Surface and Volume Properties
  Accessible surface: 428.568  Positive charged surface: 257.383  Negative charged surface: 171.186  Volume: 223.625
  Hydrophobic surface: 272.783  Hydrophilic surface: 155.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00478199
AURORAFEINCHEMIE-ZINC06665898