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ACROSORGANICS-ZINC00152805

 MMsINC code: MMs00004664
Type: Neutral
Formula: C6H4Br2FN
SMILES:   Brc1cc(F)cc(Br)c1N
InChI:   InChI=1/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2

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Potential Energy
Epot(MMFF94)=32.8169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.911 g/mol  logS: -3.58152  SlogP: 2.9329  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.31289e-07  Sterimol/B1: 2.16527  Sterimol/B2: 2.16785  Sterimol/B3: 3.80776
  Sterimol/B4: 6.20697  Sterimol/L: 8.95995 
 
 Surface and Volume Properties
  Accessible surface: 338.364  Positive charged surface: 89.8634  Negative charged surface: 248.501  Volume: 159.875
  Hydrophobic surface: 300.361  Hydrophilic surface: 38.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.