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ACROSORGANICS-ZINC02534395

 MMsINC code: MMs00013973
Type: Neutral
Formula: C7H2F4O
SMILES:   Fc1c(C=O)c(F)c(F)cc1F
InChI:   InChI=1/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.2814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.084 g/mol  logS: -2.57091  SlogP: 2.0555  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.73019e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09868  Sterimol/B3: 3.86385
  Sterimol/B4: 3.94476  Sterimol/L: 9.18564 
 
 Surface and Volume Properties
  Accessible surface: 293.462  Positive charged surface: 120.931  Negative charged surface: 172.531  Volume: 123.25
  Hydrophobic surface: 235.15  Hydrophilic surface: 58.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.