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PUBCHEM-ZINC00576356

 MMsINC code: MMs02708441
Type: Neutral
Formula: C14H10FNO2
SMILES:   Fc1ccc(cc1)\C=N\c1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H10FNO2/c15-12-6-4-10(5-7-12)9-16-13-3-1-2-11(8-13)14(17)18/h1-9H,(H,17,18)/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.237 g/mol  logS: -3.574  SlogP: 3.2745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261241  Sterimol/B1: 2.14678  Sterimol/B2: 2.50448  Sterimol/B3: 3.34463
  Sterimol/B4: 6.11251  Sterimol/L: 15.7085 
 
 Surface and Volume Properties
  Accessible surface: 462.046  Positive charged surface: 242.205  Negative charged surface: 219.841  Volume: 224.375
  Hydrophobic surface: 350.728  Hydrophilic surface: 111.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02708442
PUBCHEM-ZINC00576356