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NCID-ZINC01627140

 MMsINC code: MMs02273420
Type: Neutral
Formula: C6Br2F4
SMILES:   Brc1c(F)c(F)c(Br)c(F)c1F
InChI:   InChI=1/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.866 g/mol  logS: -4.74558  SlogP: 3.768  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.89758e-07  Sterimol/B1: 2.16631  Sterimol/B2: 2.16722  Sterimol/B3: 2.66606
  Sterimol/B4: 5.06465  Sterimol/L: 10.8847 
 
 Surface and Volume Properties
  Accessible surface: 343.684  Positive charged surface: 56.9702  Negative charged surface: 286.714  Volume: 159.375
  Hydrophobic surface: 343.684  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.