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ALFAAESAR-ZINC02584297

 MMsINC code: MMs00024153
Type: Neutral
Formula: C10H9FO4
SMILES:   Fc1cc(ccc1C(OC)=O)C(OC)=O
InChI:   InChI=1/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.3157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.176 g/mol  logS: -2.44332  SlogP: 1.3989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103061  Sterimol/B1: 2.37478  Sterimol/B2: 2.37563  Sterimol/B3: 3.85542
  Sterimol/B4: 4.0266  Sterimol/L: 14.3408 
 
 Surface and Volume Properties
  Accessible surface: 405.688  Positive charged surface: 277.053  Negative charged surface: 128.635  Volume: 185.125
  Hydrophobic surface: 328.09  Hydrophilic surface: 77.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.