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APOLLO-ZINC02567810

 MMsINC code: MMs00054343
Type: Neutral
Formula: C7H6BrFO
SMILES:   Brc1cc(F)ccc1CO
InChI:   InChI=1/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.9128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.026 g/mol  logS: -2.54127  SlogP: 2.3469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236662  Sterimol/B1: 2.37325  Sterimol/B2: 2.37685  Sterimol/B3: 2.47975
  Sterimol/B4: 6.45703  Sterimol/L: 9.98845 
 
 Surface and Volume Properties
  Accessible surface: 323.497  Positive charged surface: 138.704  Negative charged surface: 184.793  Volume: 144.375
  Hydrophobic surface: 268.487  Hydrophilic surface: 55.01
 
 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.