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ENAMINE-ZINC02504929

 MMsINC code: MMs01251452
Type: Neutral
Formula: C10H8FO3-
SMILES:   Fc1cc(ccc1OC)\C=C\C(=O)[O-]
InChI:   InChI=1/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/p-1/b5-3+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.169 g/mol  logS: -2.46591  SlogP: 0.5974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153771  Sterimol/B1: 2.30705  Sterimol/B2: 2.45729  Sterimol/B3: 2.74325
  Sterimol/B4: 4.87573  Sterimol/L: 13.7512 
 
 Surface and Volume Properties
  Accessible surface: 391.43  Positive charged surface: 206.474  Negative charged surface: 184.956  Volume: 173
  Hydrophobic surface: 271.063  Hydrophilic surface: 120.367
 
 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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Ions/Tautomers related molecules


MMs01251453
ENAMINE-ZINC02504929