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ACROSORGANICS-ZINC02512504

 MMsINC code: MMs00013820
Type: Neutral
Formula: C7H6BrFO
SMILES:   Brc1cc(F)c(cc1)CO
InChI:   InChI=1/C7H6BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.5592 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: 0.0223057  Sterimol/B1: 2.37323  Sterimol/B2: 2.37688  Sterimol/B3: 2.48187
  Sterimol/B4: 5.29934  Sterimol/L: 11.198 
 
 Surface and Volume Properties
  Accessible surface: 334.452  Positive charged surface: 144.532  Negative charged surface: 189.92  Volume: 146.25
  Hydrophobic surface: 277.956  Hydrophilic surface: 56.496
 
 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.