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ACROSORGANICS-ZINC00404229

 MMsINC code: MMs00007658
Type: Neutral
Formula: C7H3F3O3
SMILES:   Fc1c(O)c(F)c(F)cc1C(O)=O
InChI:   InChI=1/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.092 g/mol  logS: -1.87727  SlogP: 1.5077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00774583  Sterimol/B1: 2.097  Sterimol/B2: 2.25723  Sterimol/B3: 3.20166
  Sterimol/B4: 5.12551  Sterimol/L: 10.0547 
 
 Surface and Volume Properties
  Accessible surface: 314.916  Positive charged surface: 144.052  Negative charged surface: 170.863  Volume: 131.375
  Hydrophobic surface: 173.323  Hydrophilic surface: 141.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00007659
ACROSORGANICS-ZINC00404229