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ACROSORGANICS-ZINC00403446

 MMsINC code: MMs00007625
Type: Neutral
Formula: C7H4F4O
SMILES:   Fc1c(F)c(cc(F)c1F)CO
InChI:   InChI=1/C7H4F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1,12H,2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.1 g/mol  logS: -2.33582  SlogP: 2.0017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232482  Sterimol/B1: 2.37424  Sterimol/B2: 2.37587  Sterimol/B3: 2.957
  Sterimol/B4: 5.12258  Sterimol/L: 10.0027 
 
 Surface and Volume Properties
  Accessible surface: 308.801  Positive charged surface: 142.47  Negative charged surface: 166.331  Volume: 127.625
  Hydrophobic surface: 254.2  Hydrophilic surface: 54.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.