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ACROSORGANICS-ZINC01627118

 MMsINC code: MMs00009957
Type: Neutral
Formula: C7H3F5O
SMILES:   Fc1c(CO)c(F)c(F)c(F)c1F
InChI:   InChI=1/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.3906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.09 g/mol  logS: -2.6308  SlogP: 2.1408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538073  Sterimol/B1: 2.03149  Sterimol/B2: 3.0772  Sterimol/B3: 3.86478
  Sterimol/B4: 3.8675  Sterimol/L: 9.97206 
 
 Surface and Volume Properties
  Accessible surface: 319.992  Positive charged surface: 136.488  Negative charged surface: 183.504  Volume: 131.875
  Hydrophobic surface: 257.168  Hydrophilic surface: 62.824
 
 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.