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APOLLO-ZINC02386420

 MMsINC code: MMs00051989
Type: Neutral
Formula: C6HBr2F3O
SMILES:   Brc1c(O)c(F)c(Br)c(F)c1F
InChI:   InChI=1/C6HBr2F3O/c7-1-3(9)4(10)2(8)6(12)5(1)11/h12H

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Potential Energy
Epot(MMFF94)=29.9772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.875 g/mol  logS: -4.08865  SlogP: 3.3345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134718  Sterimol/B1: 2.16698  Sterimol/B2: 2.34815  Sterimol/B3: 3.70337
  Sterimol/B4: 4.71743  Sterimol/L: 9.45171 
 
 Surface and Volume Properties
  Accessible surface: 350.237  Positive charged surface: 80.0536  Negative charged surface: 270.183  Volume: 161.25
  Hydrophobic surface: 307.668  Hydrophilic surface: 42.569
 
 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.