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PUBCHEM-ZINC00576356

 MMsINC code: MMs02708442
Type: Ionized
Formula: C14H9FNO2-
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)/p-1/b16-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.229 g/mol  logS: -3.83445  SlogP: 1.9398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569041  Sterimol/B1: 2.48548  Sterimol/B2: 2.5426  Sterimol/B3: 3.74696
  Sterimol/B4: 6.3092  Sterimol/L: 15.0674 
 
 Surface and Volume Properties
  Accessible surface: 459.983  Positive charged surface: 211.434  Negative charged surface: 248.549  Volume: 225.125
  Hydrophobic surface: 357.002  Hydrophilic surface: 102.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs02708441
PUBCHEM-ZINC00576356