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APOLLO-ZINC02584267

 MMsINC code: MMs00055603
Type: Neutral
Formula: C7H4Br2FNO2
SMILES:   Brc1cc(Br)c(F)c(C(O)=O)c1N
InChI:   InChI=1/C7H4Br2FNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=43.8225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.92 g/mol  logS: -3.55092  SlogP: 2.6311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480569  Sterimol/B1: 2.59943  Sterimol/B2: 3.13508  Sterimol/B3: 4.91301
  Sterimol/B4: 5.00136  Sterimol/L: 10.0803 
 
 Surface and Volume Properties
  Accessible surface: 382.951  Positive charged surface: 110.046  Negative charged surface: 272.905  Volume: 184.25
  Hydrophobic surface: 253.797  Hydrophilic surface: 129.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs00055604
APOLLO-ZINC02584267